2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine

C16H27NO — CID 81321021

IUPAC2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CCC(C)(C)CC2C)o1
InChIInChI=1S/C16H27NO/c1-11-10-16(4,5)9-8-14(11)17-13(3)15-7-6-12(2)18-15/h6-7,11,13-14,17H,8-10H2,1-5H3
InChIKeyZFXXCYUIMTZLJJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.45
Rot. Bonds3

About 2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine

2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 81321021) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine
PubChem CID81321021
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CCC(C)(C)CC2C)o1
InChIInChI=1S/C16H27NO/c1-11-10-16(4,5)9-8-14(11)17-13(3)15-7-6-12(2)18-15/h6-7,11,13-14,17H,8-10H2,1-5H3
InChIKeyZFXXCYUIMTZLJJ-UHFFFAOYSA-N
XLogP4.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321039
2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 81360676
N-[1-(2,6-difluorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321511
N-[1-(2-chlorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320693
N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320860
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 115707104
2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401371
trans-(1S,2S)-2-[1-(5-methylfuran-2-yl)ethylamino]cyclopentan-1-ol
CID 102733183
2-[1-(5-methylfuran-2-yl)ethylamino]cyclohexan-1-ol
CID 61039875
N-[1-(5-methylfuran-2-yl)ethyl]cyclopentanamine
CID 43177408
(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
CID 103789174
2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103787845

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine (CID 81321021) is 2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine is Cc1ccc(C(C)NC2CCC(C)(C)CC2C)o1.
What is the InChIKey of 2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ZFXXCYUIMTZLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11-10-16(4,5)9-8-14(11)17-13(3)15-7-6-12(2)18-15/h6-7,11,13-14,17H,8-10H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine?
2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.45, 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-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81321021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).