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

C19H37NO — CID 115855953

IUPACN-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCCC1CCC(C(NCCC)C2CCOCC2)CC1
InChIInChI=1S/C19H37NO/c1-3-5-6-16-7-9-17(10-8-16)19(20-13-4-2)18-11-14-21-15-12-18/h16-20H,3-15H2,1-2H3
InChIKeyCEOGSDKLASBTKK-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.78
Rot. Bonds8

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

N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine (PubChem CID 115855953) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
PubChem CID115855953
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCCC1CCC(C(NCCC)C2CCOCC2)CC1
InChIInChI=1S/C19H37NO/c1-3-5-6-16-7-9-17(10-8-16)19(20-13-4-2)18-11-14-21-15-12-18/h16-20H,3-15H2,1-2H3
InChIKeyCEOGSDKLASBTKK-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.78
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
(4-butylcyclohexyl)-(oxan-4-yl)methanol
CID 115797729
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol
CID 115789621
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
CID 114978751
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 115846799
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855860
2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine
CID 166255612
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004175
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine (CID 115855953) is N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine is CCCCC1CCC(C(NCCC)C2CCOCC2)CC1.
What is the InChIKey of N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine?
The InChIKey is CEOGSDKLASBTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-5-6-16-7-9-17(10-8-16)19(20-13-4-2)18-11-14-21-15-12-18/h16-20H,3-15H2,1-2H3.
What are the key properties of N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine?
N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115855953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).