1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine

C18H32N2O — CID 115999043

IUPAC1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCN(Cc1ccco1)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H32N2O/c1-6-20(10-15-8-7-9-21-15)18(14-19)12-16(2,3)11-17(4,5)13-18/h7-9H,6,10-14,19H2,1-5H3
InChIKeyLTGGPWIOUNGMCW-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.04
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 115999043) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID115999043
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCN(Cc1ccco1)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H32N2O/c1-6-20(10-15-8-7-9-21-15)18(14-19)12-16(2,3)11-17(4,5)13-18/h7-9H,6,10-14,19H2,1-5H3
InChIKeyLTGGPWIOUNGMCW-UHFFFAOYSA-N
XLogP4.04
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
CID 61423746
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106663030
1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65088021
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758010
1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682311
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853318
1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
CID 64744459
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
3-(aminomethyl)-1-cyclopropyl-N-(furan-2-ylmethyl)-N-methylpyrrolidin-3-amine
CID 55140051
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine
CID 112682313
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65078163

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 115999043) is 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine is CCN(Cc1ccco1)C1(CN)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is LTGGPWIOUNGMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-20(10-15-8-7-9-21-15)18(14-19)12-16(2,3)11-17(4,5)13-18/h7-9H,6,10-14,19H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 115999043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).