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

C18H33NO — CID 81031196

IUPACN-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
SMILESCC(C)C1CCC(CNC2CC2)C(C2CCOCC2)C1
InChIInChI=1S/C18H33NO/c1-13(2)15-3-4-16(12-19-17-5-6-17)18(11-15)14-7-9-20-10-8-14/h13-19H,3-12H2,1-2H3
InChIKeyZJAXAVNWADWZPL-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.85
Rot. Bonds5

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

N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81031196) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
PubChem CID81031196
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
SMILESCC(C)C1CCC(CNC2CC2)C(C2CCOCC2)C1
InChIInChI=1S/C18H33NO/c1-13(2)15-3-4-16(12-19-17-5-6-17)18(11-15)14-7-9-20-10-8-14/h13-19H,3-12H2,1-2H3
InChIKeyZJAXAVNWADWZPL-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030971
2-methyl-N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81026173
N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 115652182
1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine
CID 81028956
N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 107889421
N-[[2-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
CID 81025758
2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 107138156
N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030673
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-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032057
N-[(2-cyclohexylcyclobutyl)methyl]cyclopropanamine
CID 81017544

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine (CID 81031196) is N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine is CC(C)C1CCC(CNC2CC2)C(C2CCOCC2)C1.
What is the InChIKey of N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is ZJAXAVNWADWZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-13(2)15-3-4-16(12-19-17-5-6-17)18(11-15)14-7-9-20-10-8-14/h13-19H,3-12H2,1-2H3.
What are the key properties of N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 279.47 g/mol, XLogP of 3.85, 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]cyclopropanamine is sourced from PubChem (CID 81031196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).