1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine

C14H27N — CID 105012891

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
SMILESCC(C)C(C)C(N)CC1CC2CCC1C2
InChIInChI=1S/C14H27N/c1-9(2)10(3)14(15)8-13-7-11-4-5-12(13)6-11/h9-14H,4-8,15H2,1-3H3
InChIKeyLNFSUKIXZIXSHC-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.43
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine (PubChem CID 105012891) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
PubChem CID105012891
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
SMILESCC(C)C(C)C(N)CC1CC2CCC1C2
InChIInChI=1S/C14H27N/c1-9(2)10(3)14(15)8-13-7-11-4-5-12(13)6-11/h9-14H,4-8,15H2,1-3H3
InChIKeyLNFSUKIXZIXSHC-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine (CID 105012891) is 1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine is CC(C)C(C)C(N)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine?
The InChIKey is LNFSUKIXZIXSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-9(2)10(3)14(15)8-13-7-11-4-5-12(13)6-11/h9-14H,4-8,15H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine is sourced from PubChem (CID 105012891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).