N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine

C14H23NO — CID 115713244

IUPACN-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC(NC1C(C)CCCC1C)c1ccoc1
InChIInChI=1S/C14H23NO/c1-10-5-4-6-11(2)14(10)15-12(3)13-7-8-16-9-13/h7-12,14-15H,4-6H2,1-3H3
InChIKeyLOLCLLSHPFWDGK-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.75
Rot. Bonds3

About N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine

N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 115713244) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID115713244
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC(NC1C(C)CCCC1C)c1ccoc1
InChIInChI=1S/C14H23NO/c1-10-5-4-6-11(2)14(10)15-12(3)13-7-8-16-9-13/h7-12,14-15H,4-6H2,1-3H3
InChIKeyLOLCLLSHPFWDGK-UHFFFAOYSA-N
XLogP3.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81350260
1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 115712271
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239
N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43223869
N-[1-(furan-3-yl)ethyl]-1,1-dioxothietan-3-amine
CID 130661399
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200
N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033874
N-[1-(2,6-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 63449012
tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate
CID 104955747
N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43081366
tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate
CID 103778464
4-[1-(furan-3-yl)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631060

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine (CID 115713244) is N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine is CC(NC1C(C)CCCC1C)c1ccoc1.
What is the InChIKey of N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is LOLCLLSHPFWDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-5-4-6-11(2)14(10)15-12(3)13-7-8-16-9-13/h7-12,14-15H,4-6H2,1-3H3.
What are the key properties of N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine?
N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 115713244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).