1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane

C39H67N3 — CID 142268236

IUPAC1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane
SMILESC=C(C)C(=C)C(C)CC1CCC1.C=C(C)C1C2C(CN1C(=C)C(NC(=C)N(C(C)C)C(C)C)C1CCCCC1)C2(C)C
InChIInChI=1S/C27H47N3.C12H20/c1-17(2)26-24-23(27(24,9)10)16-29(26)20(7)25(22-14-12-11-13-15-22)28-21(8)30(18(3)4)19(5)6;1-9(2)11(4)10(3)8-12-6-5-7-12/h18-19,22-26,28H,1,7-8,11-16H2,2-6,9-10H3;10,12H,1,4-8H2,2-3H3
InChIKeyHXDBPESHOXXTCS-UHFFFAOYSA-N
MW577.99 g/mol
LogP10.11
Rot. Bonds13

About 1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane

1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane (PubChem CID 142268236) has the molecular formula C39H67N3 and a molecular weight of 577.99 g/mol. Its IUPAC name is 1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane.

Molecular Properties

Compound Name1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane
PubChem CID142268236
Molecular FormulaC39H67N3
Molecular Weight577.99 g/mol
Exact Mass577.53
IUPAC Name1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane
SMILESC=C(C)C(=C)C(C)CC1CCC1.C=C(C)C1C2C(CN1C(=C)C(NC(=C)N(C(C)C)C(C)C)C1CCCCC1)C2(C)C
InChIInChI=1S/C27H47N3.C12H20/c1-17(2)26-24-23(27(24,9)10)16-29(26)20(7)25(22-14-12-11-13-15-22)28-21(8)30(18(3)4)19(5)6;1-9(2)11(4)10(3)8-12-6-5-7-12/h18-19,22-26,28H,1,7-8,11-16H2,2-6,9-10H3;10,12H,1,4-8H2,2-3H3
InChIKeyHXDBPESHOXXTCS-UHFFFAOYSA-N
XLogP10.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.99
LogP ≤ 510.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane?
The IUPAC name of 1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane (CID 142268236) is 1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane.
What is the SMILES notation for 1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane?
The canonical SMILES for 1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane is C=C(C)C(=C)C(C)CC1CCC1.C=C(C)C1C2C(CN1C(=C)C(NC(=C)N(C(C)C)C(C)C)C1CCCCC1)C2(C)C.
What is the InChIKey of 1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane?
The InChIKey is HXDBPESHOXXTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47N3.C12H20/c1-17(2)26-24-23(27(24,9)10)16-29(26)20(7)25(22-14-12-11-13-15-22)28-21(8)30(18(3)4)19(5)6;1-9(2)11(4)10(3)8-12-6-5-7-12/h18-19,22-26,28H,1,7-8,11-16H2,2-6,9-10H3;10,12H,1,4-8H2,2-3H3.
What are the key properties of 1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane?
1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane has a molecular weight of 577.99 g/mol, XLogP of 10.11, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-cyclohexyl-2-(6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-enyl]-1-N',1-N'-di(propan-2-yl)ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane is sourced from PubChem (CID 142268236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).