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

C14H27N — CID 79563499

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)CC1CC2CCC1C2
InChIInChI=1S/C14H27N/c1-14(2,3)9-13(15)8-12-7-10-4-5-11(12)6-10/h10-13H,4-9,15H2,1-3H3
InChIKeyKKGDFLGARWQIIT-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.58
Rot. Bonds3

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

1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine (PubChem CID 79563499) 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)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
PubChem CID79563499
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)CC1CC2CCC1C2
InChIInChI=1S/C14H27N/c1-14(2,3)9-13(15)8-12-7-10-4-5-11(12)6-10/h10-13H,4-9,15H2,1-3H3
InChIKeyKKGDFLGARWQIIT-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

1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
N-(2-amino-4,4-dimethylpentyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 107158527
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypropan-2-amine
CID 79562694
1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine
CID 104987755
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726349
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-amine
CID 105037583
1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891
1-(2-bicyclo[2.2.1]heptanyl)-5-ethoxypentan-2-amine
CID 105167957
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine
CID 79562079

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine (CID 79563499) is 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine is CC(C)(C)CC(N)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine?
The InChIKey is KKGDFLGARWQIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-14(2,3)9-13(15)8-12-7-10-4-5-11(12)6-10/h10-13H,4-9,15H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-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-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 79563499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).