N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine

C18H32N2 — CID 134299377

IUPACN-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine
SMILESC=C(CCC)CC/C(=C\C(=N\C)C(C)(C)C)NC1CC1
InChIInChI=1S/C18H32N2/c1-7-8-14(2)9-10-16(20-15-11-12-15)13-17(19-6)18(3,4)5/h13,15,20H,2,7-12H2,1,3-6H3/b16-13+,19-17-
InChIKeyUYJWWIGLXJBWJW-TUHCRLSLSA-N
MW276.47 g/mol
LogP4.88
Rot. Bonds8

About N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine

N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine (PubChem CID 134299377) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine
PubChem CID134299377
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine
SMILESC=C(CCC)CC/C(=C\C(=N\C)C(C)(C)C)NC1CC1
InChIInChI=1S/C18H32N2/c1-7-8-14(2)9-10-16(20-15-11-12-15)13-17(19-6)18(3,4)5/h13,15,20H,2,7-12H2,1,3-6H3/b16-13+,19-17-
InChIKeyUYJWWIGLXJBWJW-TUHCRLSLSA-N
XLogP4.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine?
The IUPAC name of N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine (CID 134299377) is N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine.
What is the SMILES notation for N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine?
The canonical SMILES for N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine is C=C(CCC)CC/C(=C\C(=N\C)C(C)(C)C)NC1CC1.
What is the InChIKey of N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine?
The InChIKey is UYJWWIGLXJBWJW-TUHCRLSLSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-8-14(2)9-10-16(20-15-11-12-15)13-17(19-6)18(3,4)5/h13,15,20H,2,7-12H2,1,3-6H3/b16-13+,19-17-.
What are the key properties of N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine?
N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine has a molecular weight of 276.47 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,2-dimethyl-8-methylidene-3-methyliminoundec-4-en-5-yl]cyclopropanamine is sourced from PubChem (CID 134299377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).