N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine

C18H32N2 — CID 123422531

IUPACN-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine
SMILESCCC=C(C)C(C)CCN(C)C1=CN2CCCC(C1)C2
InChIInChI=1S/C18H32N2/c1-5-7-15(2)16(3)9-11-19(4)18-12-17-8-6-10-20(13-17)14-18/h7,14,16-17H,5-6,8-13H2,1-4H3
InChIKeyVTLDTXOUONHMFA-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.26
Rot. Bonds6

About N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine

N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine (PubChem CID 123422531) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine
PubChem CID123422531
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine
SMILESCCC=C(C)C(C)CCN(C)C1=CN2CCCC(C1)C2
InChIInChI=1S/C18H32N2/c1-5-7-15(2)16(3)9-11-19(4)18-12-17-8-6-10-20(13-17)14-18/h7,14,16-17H,5-6,8-13H2,1-4H3
InChIKeyVTLDTXOUONHMFA-UHFFFAOYSA-N
XLogP4.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine?
The IUPAC name of N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine (CID 123422531) is N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine.
What is the SMILES notation for N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine?
The canonical SMILES for N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine is CCC=C(C)C(C)CCN(C)C1=CN2CCCC(C1)C2.
What is the InChIKey of N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine?
The InChIKey is VTLDTXOUONHMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-7-15(2)16(3)9-11-19(4)18-12-17-8-6-10-20(13-17)14-18/h7,14,16-17H,5-6,8-13H2,1-4H3.
What are the key properties of N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine?
N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine has a molecular weight of 276.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylhept-4-enyl)-N-methyl-1-azabicyclo[3.3.1]non-2-en-3-amine is sourced from PubChem (CID 123422531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).