N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine

C16H31NO — CID 104586256

IUPACN-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2(C)CCOCC2)C1
InChIInChI=1S/C16H31NO/c1-13(2)14-5-4-6-15(11-14)17-12-16(3)7-9-18-10-8-16/h13-15,17H,4-12H2,1-3H3
InChIKeyAMDLXTNDLLQOIP-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine

N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 104586256) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID104586256
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2(C)CCOCC2)C1
InChIInChI=1S/C16H31NO/c1-13(2)14-5-4-6-15(11-14)17-12-16(3)7-9-18-10-8-16/h13-15,17H,4-12H2,1-3H3
InChIKeyAMDLXTNDLLQOIP-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561937
N-[(3-methyloxolan-3-yl)methyl]cyclobutanamine
CID 130621360
1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 115893016
3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 107448605
3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine
CID 103724489
N-(2-methyl-2-morpholin-4-ylpropyl)-3-propan-2-ylcyclohexan-1-amine
CID 107447853
N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 103922834
N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 103781048
N-(3-propan-2-ylcyclohexyl)morpholin-4-amine
CID 107448723
4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol
CID 79033062
N-pentyl-3-propan-2-ylcyclohexan-1-amine
CID 107447748
N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448296

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine (CID 104586256) is N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(NCC2(C)CCOCC2)C1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is AMDLXTNDLLQOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)14-5-4-6-15(11-14)17-12-16(3)7-9-18-10-8-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine?
N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 104586256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).