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

C15H27NO — CID 113383516

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C1CC2CCC1C2
InChIInChI=1S/C15H27NO/c1-16-15(7-6-13-3-2-8-17-13)14-10-11-4-5-12(14)9-11/h11-16H,2-10H2,1H3
InChIKeyCTDLPTBCLQBYJW-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds5

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

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 113383516) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID113383516
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C1CC2CCC1C2
InChIInChI=1S/C15H27NO/c1-16-15(7-6-13-3-2-8-17-13)14-10-11-4-5-12(14)9-11/h11-16H,2-10H2,1H3
InChIKeyCTDLPTBCLQBYJW-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 114192236
N-methyl-1-(2-methyloxolan-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993513
N-methyl-1-(3-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164399
N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993527
[1-(2-bicyclo[2.2.1]heptanyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
CID 105323482
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623
1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 104991042
N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 106830218
N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
CID 65330358
[1-cycloheptyl-3-(oxolan-2-yl)propyl]hydrazine
CID 105231964
N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine
CID 65413363

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 113383516) is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is CTDLPTBCLQBYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-16-15(7-6-13-3-2-8-17-13)14-10-11-4-5-12(14)9-11/h11-16H,2-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 113383516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).