N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C16H29N3 — CID 112568401

IUPACN-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCn1ccnc1CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H29N3/c1-6-19-8-7-17-14(19)11-18-13-9-15(2,3)12-16(4,5)10-13/h7-8,13,18H,6,9-12H2,1-5H3
InChIKeyUNHVWHLPIZXWEV-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.60
Rot. Bonds4

About N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 112568401) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID112568401
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCn1ccnc1CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H29N3/c1-6-19-8-7-17-14(19)11-18-13-9-15(2,3)12-16(4,5)10-13/h7-8,13,18H,6,9-12H2,1-5H3
InChIKeyUNHVWHLPIZXWEV-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylimidazol-2-yl)methyl]-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

3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 103965567
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638
N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471784
2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 83032603
1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 62350120
5-[(1-ethylimidazol-2-yl)methylamino]piperidin-2-one
CID 63661533
N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64910386
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62357775
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 45220820
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 112568401) is N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is CCn1ccnc1CNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is UNHVWHLPIZXWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-19-8-7-17-14(19)11-18-13-9-15(2,3)12-16(4,5)10-13/h7-8,13,18H,6,9-12H2,1-5H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 112568401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).