6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine

C15H29N — CID 79550883

IUPAC6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine
SMILESCNC(CCCC1CC2CCC1C2)C(C)C
InChIInChI=1S/C15H29N/c1-11(2)15(16-3)6-4-5-13-9-12-7-8-14(13)10-12/h11-16H,4-10H2,1-3H3
InChIKeyADKSHWSXGDHNFZ-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.84
Rot. Bonds6

About 6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine

6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine (PubChem CID 79550883) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine
PubChem CID79550883
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine
SMILESCNC(CCCC1CC2CCC1C2)C(C)C
InChIInChI=1S/C15H29N/c1-11(2)15(16-3)6-4-5-13-9-12-7-8-14(13)10-12/h11-16H,4-10H2,1-3H3
InChIKeyADKSHWSXGDHNFZ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-5,5-dimethylhexyl)bicyclo[2.2.1]heptane
CID 79550170
2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine
CID 79563092
4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine
CID 170260434
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63683963
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241

Frequently Asked Questions

What is the IUPAC name of 6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine?
The IUPAC name of 6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine (CID 79550883) is 6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine.
What is the SMILES notation for 6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine?
The canonical SMILES for 6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine is CNC(CCCC1CC2CCC1C2)C(C)C.
What is the InChIKey of 6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine?
The InChIKey is ADKSHWSXGDHNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11(2)15(16-3)6-4-5-13-9-12-7-8-14(13)10-12/h11-16H,4-10H2,1-3H3.
What are the key properties of 6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine?
6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine has a molecular weight of 223.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine is sourced from PubChem (CID 79550883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).