9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine

C24H47NO — CID 177197140

IUPAC9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine
SMILESC=C(CCCCCCNC(=C)CCCCC)CCOCC(C)(CC)CC
InChIInChI=1S/C24H47NO/c1-7-10-13-17-23(5)25-19-15-12-11-14-16-22(4)18-20-26-21-24(6,8-2)9-3/h25H,4-5,7-21H2,1-3,6H3
InChIKeyNMNVHNYKJNKXCK-UHFFFAOYSA-N
MW365.65 g/mol
LogP7.41
Rot. Bonds19

About 9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine

9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine (PubChem CID 177197140) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is 9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine.

Molecular Properties

Compound Name9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine
PubChem CID177197140
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine
SMILESC=C(CCCCCCNC(=C)CCCCC)CCOCC(C)(CC)CC
InChIInChI=1S/C24H47NO/c1-7-10-13-17-23(5)25-19-15-12-11-14-16-22(4)18-20-26-21-24(6,8-2)9-3/h25H,4-5,7-21H2,1-3,6H3
InChIKeyNMNVHNYKJNKXCK-UHFFFAOYSA-N
XLogP7.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine?
The IUPAC name of 9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine (CID 177197140) is 9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine.
What is the SMILES notation for 9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine?
The canonical SMILES for 9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine is C=C(CCCCCCNC(=C)CCCCC)CCOCC(C)(CC)CC.
What is the InChIKey of 9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine?
The InChIKey is NMNVHNYKJNKXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-7-10-13-17-23(5)25-19-15-12-11-14-16-22(4)18-20-26-21-24(6,8-2)9-3/h25H,4-5,7-21H2,1-3,6H3.
What are the key properties of 9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine?
9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine has a molecular weight of 365.65 g/mol, XLogP of 7.41, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethyl-2-methylbutoxy)-N-hept-1-en-2-yl-7-methylidenenonan-1-amine is sourced from PubChem (CID 177197140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).