N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine

C15H29N — CID 123237341

IUPACN-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1CC=C(C)CCC1C
InChIInChI=1S/C15H29N/c1-5-6-11-16(4)12-15-10-8-13(2)7-9-14(15)3/h8,14-15H,5-7,9-12H2,1-4H3
InChIKeyIZABCROTEBFNGI-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.10
Rot. Bonds5

About N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine

N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine (PubChem CID 123237341) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine
PubChem CID123237341
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1CC=C(C)CCC1C
InChIInChI=1S/C15H29N/c1-5-6-11-16(4)12-15-10-8-13(2)7-9-14(15)3/h8,14-15H,5-7,9-12H2,1-4H3
InChIKeyIZABCROTEBFNGI-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine (CID 123237341) is N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine is CCCCN(C)CC1CC=C(C)CCC1C.
What is the InChIKey of N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine?
The InChIKey is IZABCROTEBFNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-5-6-11-16(4)12-15-10-8-13(2)7-9-14(15)3/h8,14-15H,5-7,9-12H2,1-4H3.
What are the key properties of N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine?
N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,7-dimethylcyclohept-3-en-1-yl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 123237341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).