1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine

C15H26N2O — CID 64744459

IUPAC1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)Cc2ccco2)CC1C
InChIInChI=1S/C15H26N2O/c1-12-6-7-15(11-16,9-13(12)2)17(3)10-14-5-4-8-18-14/h4-5,8,12-13H,6-7,9-11,16H2,1-3H3
InChIKeyOMVGAXCWDIRLAY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.87
Rot. Bonds4

About 1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine (PubChem CID 64744459) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
PubChem CID64744459
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)Cc2ccco2)CC1C
InChIInChI=1S/C15H26N2O/c1-12-6-7-15(11-16,9-13(12)2)17(3)10-14-5-4-8-18-14/h4-5,8,12-13H,6-7,9-11,16H2,1-3H3
InChIKeyOMVGAXCWDIRLAY-UHFFFAOYSA-N
XLogP2.87
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-cyclopropyl-N-(furan-2-ylmethyl)-N-methylpyrrolidin-3-amine
CID 55140051
1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64746825
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65078163
1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65088021
[4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol
CID 115882955
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
CID 61423746
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758010
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 62392008
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744864
1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 64746041
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115999043

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine (CID 64744459) is 1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine is CC1CCC(CN)(N(C)Cc2ccco2)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine?
The InChIKey is OMVGAXCWDIRLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-6-7-15(11-16,9-13(12)2)17(3)10-14-5-4-8-18-14/h4-5,8,12-13H,6-7,9-11,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64744459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).