N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine

C18H35NO — CID 81030971

IUPACN-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C(C)C)CC1C1CCOCC1
InChIInChI=1S/C18H35NO/c1-13(2)16-5-6-17(12-19-14(3)4)18(11-16)15-7-9-20-10-8-15/h13-19H,5-12H2,1-4H3
InChIKeyCKMQMTZZYAAKEM-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.10
Rot. Bonds5

About N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine

N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (PubChem CID 81030971) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
PubChem CID81030971
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C(C)C)CC1C1CCOCC1
InChIInChI=1S/C18H35NO/c1-13(2)16-5-6-17(12-19-14(3)4)18(11-16)15-7-9-20-10-8-15/h13-19H,5-12H2,1-4H3
InChIKeyCKMQMTZZYAAKEM-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
CID 81031196
2-methyl-N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81026173
1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine
CID 81028956
2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 107138156
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 82935222
N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
CID 81030520
N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81025338
N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine
CID 81026190
N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81028970
N-[[2-(oxan-3-yl)cyclopentyl]methyl]propan-2-amine
CID 107138114
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine
CID 81018268
N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026255

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (CID 81030971) is N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCC(C(C)C)CC1C1CCOCC1.
What is the InChIKey of N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The InChIKey is CKMQMTZZYAAKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-13(2)16-5-6-17(12-19-14(3)4)18(11-16)15-7-9-20-10-8-15/h13-19H,5-12H2,1-4H3.
What are the key properties of N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine has a molecular weight of 281.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81030971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).