N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine

C15H29NO — CID 103922834

IUPACN-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2CCCOC2)C1
InChIInChI=1S/C15H29NO/c1-12(2)14-6-3-7-15(9-14)16-10-13-5-4-8-17-11-13/h12-16H,3-11H2,1-2H3
InChIKeyYCNGCZLTIONFOK-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds4

About N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine

N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 103922834) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID103922834
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2CCCOC2)C1
InChIInChI=1S/C15H29NO/c1-12(2)14-6-3-7-15(9-14)16-10-13-5-4-8-17-11-13/h12-16H,3-11H2,1-2H3
InChIKeyYCNGCZLTIONFOK-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-3-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091408
3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 64747200
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 107448605
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920
N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448296
3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 80705483
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465
N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448430
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912
N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
CID 65091062

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine (CID 103922834) is N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(NCC2CCCOC2)C1.
What is the InChIKey of N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is YCNGCZLTIONFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)14-6-3-7-15(9-14)16-10-13-5-4-8-17-11-13/h12-16H,3-11H2,1-2H3.
What are the key properties of N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 103922834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).