N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine

C18H33N — CID 134223065

IUPACN-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine
SMILESC=C1CCC(=C)C(CCNCCCCCCC)CC1
InChIInChI=1S/C18H33N/c1-4-5-6-7-8-14-19-15-13-18-12-10-16(2)9-11-17(18)3/h18-19H,2-15H2,1H3
InChIKeyFAJJXKJXEULSGV-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.24
Rot. Bonds9

About N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine

N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine (PubChem CID 134223065) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine
PubChem CID134223065
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine
SMILESC=C1CCC(=C)C(CCNCCCCCCC)CC1
InChIInChI=1S/C18H33N/c1-4-5-6-7-8-14-19-15-13-18-12-10-16(2)9-11-17(18)3/h18-19H,2-15H2,1H3
InChIKeyFAJJXKJXEULSGV-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine?
The IUPAC name of N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine (CID 134223065) is N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine.
What is the SMILES notation for N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine?
The canonical SMILES for N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine is C=C1CCC(=C)C(CCNCCCCCCC)CC1.
What is the InChIKey of N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine?
The InChIKey is FAJJXKJXEULSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-4-5-6-7-8-14-19-15-13-18-12-10-16(2)9-11-17(18)3/h18-19H,2-15H2,1H3.
What are the key properties of N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine?
N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine has a molecular weight of 263.47 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine is sourced from PubChem (CID 134223065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).