N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C14H27N — CID 12749939

IUPACN-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H27N/c1-5-6-9-15-12-10-11-7-8-14(12,4)13(11,2)3/h11-12,15H,5-10H2,1-4H3
InChIKeyQJRORWYCPYJPGW-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds4

About N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 12749939) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID12749939
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H27N/c1-5-6-9-15-12-10-11-7-8-14(12,4)13(11,2)3/h11-12,15H,5-10H2,1-4H3
InChIKeyQJRORWYCPYJPGW-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 12749939) is N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CCCCNC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is QJRORWYCPYJPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-6-9-15-12-10-11-7-8-14(12,4)13(11,2)3/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 12749939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).