3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine

C14H27N — CID 79563243

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)CC1CC2CCC1C2
InChIInChI=1S/C14H27N/c1-10(2)15-9-11(3)6-14-8-12-4-5-13(14)7-12/h10-15H,4-9H2,1-3H3
InChIKeyXSWPUDPXPGKPOW-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.45
Rot. Bonds5

About 3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine

3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 79563243) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID79563243
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)CC1CC2CCC1C2
InChIInChI=1S/C14H27N/c1-10(2)15-9-11(3)6-14-8-12-4-5-13(14)7-12/h10-15H,4-9H2,1-3H3
InChIKeyXSWPUDPXPGKPOW-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79563380
3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)-N-propan-2-ylpropan-1-amine
CID 79562895
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
(2R)-1-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 98184971
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
CID 115845637
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
CID 114977789
[1-(2-bicyclo[2.2.1]heptanyl)-4-methylhexan-2-yl]hydrazine
CID 105298462
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 79563243) is 3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)CC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is XSWPUDPXPGKPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10(2)15-9-11(3)6-14-8-12-4-5-13(14)7-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79563243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).