4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine

C16H29N3 — CID 65089447

IUPAC4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCCn2ccnc2)CC1
InChIInChI=1S/C16H29N3/c1-16(2,3)14-5-4-6-15(8-7-14)18-10-12-19-11-9-17-13-19/h9,11,13-15,18H,4-8,10,12H2,1-3H3
InChIKeyFAILSCAZFIRRQB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.47
Rot. Bonds4

About 4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine

4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine (PubChem CID 65089447) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
PubChem CID65089447
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCCn2ccnc2)CC1
InChIInChI=1S/C16H29N3/c1-16(2,3)14-5-4-6-15(8-7-14)18-10-12-19-11-9-17-13-19/h9,11,13-15,18H,4-8,10,12H2,1-3H3
InChIKeyFAILSCAZFIRRQB-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-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-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 60810197
N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758617
N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine
CID 107906738
N-(2-imidazol-1-ylethyl)oxetan-3-amine
CID 63623289
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611
N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
CID 81300344
N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine
CID 79620812
tert-butyl 6-(2-imidazol-1-ylethylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate
CID 154766307
4-tert-butyl-N-(2-piperidin-1-ylethyl)cyclohexan-1-amine
CID 742513
N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine
CID 63455790
tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate
CID 80560625

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine (CID 65089447) is 4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine is CC(C)(C)C1CCCC(NCCn2ccnc2)CC1.
What is the InChIKey of 4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine?
The InChIKey is FAILSCAZFIRRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-16(2,3)14-5-4-6-15(8-7-14)18-10-12-19-11-9-17-13-19/h9,11,13-15,18H,4-8,10,12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine?
4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine is sourced from PubChem (CID 65089447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).