N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine

C18H35NO — CID 107136453

IUPACN-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(CCC)CC1)C1CCCOC1
InChIInChI=1S/C18H35NO/c1-3-6-15-8-10-16(11-9-15)18(19-12-4-2)17-7-5-13-20-14-17/h15-19H,3-14H2,1-2H3
InChIKeyCPHAXMDQKXZWGB-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds7

About N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine

N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine (PubChem CID 107136453) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
PubChem CID107136453
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(CCC)CC1)C1CCCOC1
InChIInChI=1S/C18H35NO/c1-3-6-15-8-10-16(11-9-15)18(19-12-4-2)17-7-5-13-20-14-17/h15-19H,3-14H2,1-2H3
InChIKeyCPHAXMDQKXZWGB-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65329706
N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855953
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
N-[(2,2-dimethylcyclopentyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107191939
N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107138706
N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105147551
N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 107136482
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
CID 80604878
tert-butyl 3-[oxan-3-yl(propylamino)methyl]pyrrolidine-1-carboxylate
CID 107138754
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233

Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine (CID 107136453) is N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine is CCCNC(C1CCC(CCC)CC1)C1CCCOC1.
What is the InChIKey of N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine?
The InChIKey is CPHAXMDQKXZWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-6-15-8-10-16(11-9-15)18(19-12-4-2)17-7-5-13-20-14-17/h15-19H,3-14H2,1-2H3.
What are the key properties of N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine?
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 107136453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).