1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine

C34H60N2 — CID 143105200

IUPAC1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine
SMILESC=C(CCC1CC1)CCC(NC(=C)NC(C(=C)CC(C(=C)C)[C@H]1C(C)[C@H]1CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C34H60N2/c1-14-28-25(6)31(28)29(22(2)3)21-24(5)32(34(11,12)13)36-26(7)35-30(33(8,9)10)20-16-23(4)15-17-27-18-19-27/h25,27-32,35-36H,2,4-5,7,14-21H2,1,3,6,8-13H3/t25?,28-,29?,30?,31+,32?/m1/s1
InChIKeyFHLVAZNCEAFPPI-MSWITDHUSA-N
MW496.87 g/mol
LogP9.42
Rot. Bonds16

About 1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine

1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine (PubChem CID 143105200) has the molecular formula C34H60N2 and a molecular weight of 496.87 g/mol. Its IUPAC name is 1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine
PubChem CID143105200
Molecular FormulaC34H60N2
Molecular Weight496.87 g/mol
Exact Mass496.48
IUPAC Name1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine
SMILESC=C(CCC1CC1)CCC(NC(=C)NC(C(=C)CC(C(=C)C)[C@H]1C(C)[C@H]1CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C34H60N2/c1-14-28-25(6)31(28)29(22(2)3)21-24(5)32(34(11,12)13)36-26(7)35-30(33(8,9)10)20-16-23(4)15-17-27-18-19-27/h25,27-32,35-36H,2,4-5,7,14-21H2,1,3,6,8-13H3/t25?,28-,29?,30?,31+,32?/m1/s1
InChIKeyFHLVAZNCEAFPPI-MSWITDHUSA-N
XLogP9.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.87
LogP ≤ 59.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine?
The IUPAC name of 1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine (CID 143105200) is 1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine.
What is the SMILES notation for 1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine?
The canonical SMILES for 1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine is C=C(CCC1CC1)CCC(NC(=C)NC(C(=C)CC(C(=C)C)[C@H]1C(C)[C@H]1CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine?
The InChIKey is FHLVAZNCEAFPPI-MSWITDHUSA-N. The full InChI is InChI=1S/C34H60N2/c1-14-28-25(6)31(28)29(22(2)3)21-24(5)32(34(11,12)13)36-26(7)35-30(33(8,9)10)20-16-23(4)15-17-27-18-19-27/h25,27-32,35-36H,2,4-5,7,14-21H2,1,3,6,8-13H3/t25?,28-,29?,30?,31+,32?/m1/s1.
What are the key properties of 1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine?
1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine has a molecular weight of 496.87 g/mol, XLogP of 9.42, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(8-cyclopropyl-2,2-dimethyl-6-methylideneoctan-3-yl)-1-N'-[6-[(1S,2R)-2-ethyl-3-methylcyclopropyl]-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine is sourced from PubChem (CID 143105200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).