2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine

C16H31NO — CID 103787845

IUPAC2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NC(C)C1CCOCC1
InChIInChI=1S/C16H31NO/c1-12-11-16(3,4)8-5-15(12)17-13(2)14-6-9-18-10-7-14/h12-15,17H,5-11H2,1-4H3
InChIKeyMIMJMHRRWSWAIA-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds3

About 2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine

2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 103787845) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
PubChem CID103787845
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NC(C)C1CCOCC1
InChIInChI=1S/C16H31NO/c1-12-11-16(3,4)8-5-15(12)17-13(2)14-6-9-18-10-7-14/h12-15,17H,5-11H2,1-4H3
InChIKeyMIMJMHRRWSWAIA-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104585939
N-[(4-methyloxan-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 105888604
N-(4-methylcyclohexyl)oxan-4-amine
CID 43608415
N-(4-propylcyclohexyl)oxan-4-amine
CID 43609657
N-(4-tert-butylcyclohexyl)oxan-4-amine
CID 43609755
N-(4-propan-2-ylcyclohexyl)oxan-4-amine
CID 62703475
N-(4-methylcyclohexyl)oxan-3-amine
CID 63359771
N-[(4-methyloxan-4-yl)methyl]cyclohexanamine
CID 115684878
2,2-dimethyl-N-(oxan-4-ylmethyl)-3-pentylcyclopropan-1-amine
CID 126595479
N-[4-(isocyanomethyl)-4-methylcyclohexyl]oxan-4-amine
CID 141642765
ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 145139828
methane;N-(4-methylcyclohexyl)oxan-4-amine
CID 157744791

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine (CID 103787845) is 2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine is CC1CC(C)(C)CCC1NC(C)C1CCOCC1.
What is the InChIKey of 2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is MIMJMHRRWSWAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-11-16(3,4)8-5-15(12)17-13(2)14-6-9-18-10-7-14/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine?
2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103787845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).