1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine

C14H27N — CID 115850224

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)C1C2CCCCC21
InChIInChI=1S/C14H27N/c1-14(2,3)9-8-12(15)13-10-6-4-5-7-11(10)13/h10-13H,4-9,15H2,1-3H3
InChIKeyQLHBVLIVXSTBPZ-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.58
Rot. Bonds3

About 1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine

1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine (PubChem CID 115850224) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine
PubChem CID115850224
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)C1C2CCCCC21
InChIInChI=1S/C14H27N/c1-14(2,3)9-8-12(15)13-10-6-4-5-7-11(10)13/h10-13H,4-9,15H2,1-3H3
InChIKeyQLHBVLIVXSTBPZ-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Butylcyclohexylamine
CID 79396
2-Methylcycloheptan-1-amine
CID 14810387
2-Tert-butylcyclohexan-1-amine
CID 520760
Spiro[5.6]dodecan-3-amine
CID 56639662
Spiro[5.6]dodecan-10-amine
CID 66709676
1-Cyclohexyl-2,2-dimethylpropan-1-amine
CID 13739369
4,4-Diethylcyclohexan-1-amine
CID 15719641
4-Methylcycloheptan-1-amine
CID 20386338
1-(1-Methylcyclohexyl)ethan-1-amine
CID 21421303
4-Tert-butylcycloheptan-1-amine
CID 53659905
1-Cyclohexyl-3,3-dimethylbutan-2-amine
CID 54593638
4,4-Dimethylcycloheptan-1-amine
CID 55290733

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine (CID 115850224) is 1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine is CC(C)(C)CCC(N)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine?
The InChIKey is QLHBVLIVXSTBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-14(2,3)9-8-12(15)13-10-6-4-5-7-11(10)13/h10-13H,4-9,15H2,1-3H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine?
1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 115850224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).