3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine

C16H31NO — CID 107428382

IUPAC3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCC2CCCCO2)C1
InChIInChI=1S/C16H31NO/c1-13(2)10-14-6-5-7-15(11-14)17-12-16-8-3-4-9-18-16/h13-17H,3-12H2,1-2H3
InChIKeyYDSMFIAZGMDXQM-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds5

About 3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine

3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 107428382) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine
PubChem CID107428382
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCC2CCCCO2)C1
InChIInChI=1S/C16H31NO/c1-13(2)10-14-6-5-7-15(11-14)17-12-16-8-3-4-9-18-16/h13-17H,3-12H2,1-2H3
InChIKeyYDSMFIAZGMDXQM-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine
CID 79459503
3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64751038
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
[2-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclopentyl]methanol
CID 107428559
(2R)-2-(2-methylpropyl)oxane
CID 58653197
N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428837
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]oxolan-3-amine
CID 107428699
3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
CID 107427844
N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428772
N-ethyl-3-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65165304
3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
CID 107428771
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine (CID 107428382) is 3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine is CC(C)CC1CCCC(NCC2CCCCO2)C1.
What is the InChIKey of 3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is YDSMFIAZGMDXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)10-14-6-5-7-15(11-14)17-12-16-8-3-4-9-18-16/h13-17H,3-12H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 107428382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).