1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine

C17H33NO — CID 115846799

IUPAC1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
SMILESCCCCC1CCC(C(N)CC2CCOCC2)CC1
InChIInChI=1S/C17H33NO/c1-2-3-4-14-5-7-16(8-6-14)17(18)13-15-9-11-19-12-10-15/h14-17H,2-13,18H2,1H3
InChIKeyKHYZOGCSHFONLT-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.13
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine

1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine (PubChem CID 115846799) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
PubChem CID115846799
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
SMILESCCCCC1CCC(C(N)CC2CCOCC2)CC1
InChIInChI=1S/C17H33NO/c1-2-3-4-14-5-7-16(8-6-14)17(18)13-15-9-11-19-12-10-15/h14-17H,2-13,18H2,1H3
InChIKeyKHYZOGCSHFONLT-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 62604163
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol
CID 115789621
(4-butylcyclohexyl)-(oxan-4-yl)methanol
CID 115797729
1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 65402159
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
2-cyclopentyl-1-(4-propylcyclohexyl)ethanamine
CID 65424909
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855953
1-(oxan-4-yl)heptan-2-amine
CID 115846998
1-(4-butylcyclohexyl)pent-4-yn-1-amine
CID 115859309
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
1-(oxan-4-yl)heptan-1-amine
CID 65334749

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine (CID 115846799) is 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine is CCCCC1CCC(C(N)CC2CCOCC2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine?
The InChIKey is KHYZOGCSHFONLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-3-4-14-5-7-16(8-6-14)17(18)13-15-9-11-19-12-10-15/h14-17H,2-13,18H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine?
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine has a molecular weight of 267.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).