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

C17H33NO — CID 65402159

IUPAC1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
SMILESCC(C)(C)C1CCC(C(N)CC2CCOCC2)CC1
InChIInChI=1S/C17H33NO/c1-17(2,3)15-6-4-14(5-7-15)16(18)12-13-8-10-19-11-9-13/h13-16H,4-12,18H2,1-3H3
InChIKeyQXVSVXSCNQAHKR-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.98
Rot. Bonds3

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

1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine (PubChem CID 65402159) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
PubChem CID65402159
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
SMILESCC(C)(C)C1CCC(C(N)CC2CCOCC2)CC1
InChIInChI=1S/C17H33NO/c1-17(2,3)15-6-4-14(5-7-15)16(18)12-13-8-10-19-11-9-13/h13-16H,4-12,18H2,1-3H3
InChIKeyQXVSVXSCNQAHKR-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.98
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)ethanamine
CID 115846799
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol
CID 104575909
1-(oxan-4-yl)propan-2-amine
CID 21054632
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine
CID 104575536
(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
CID 104941123
1,2-di(cyclobutyl)ethanamine
CID 65456758
2-cyclopentyl-1-(4-propylcyclohexyl)ethanamine
CID 65424909

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine (CID 65402159) is 1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine is CC(C)(C)C1CCC(C(N)CC2CCOCC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine?
The InChIKey is QXVSVXSCNQAHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-17(2,3)15-6-4-14(5-7-15)16(18)12-13-8-10-19-11-9-13/h13-16H,4-12,18H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine?
1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine has a molecular weight of 267.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 65402159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).