N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine

C16H29N3 — CID 43749491

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C16H29N3/c1-13-7-5-6-8-14(13)18-15(16(2,3)4)11-19-10-9-17-12-19/h9-10,12-15,18H,5-8,11H2,1-4H3
InChIKeyPLZQIKHUYSIJMG-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.47
Rot. Bonds4

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine (PubChem CID 43749491) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine
PubChem CID43749491
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C16H29N3/c1-13-7-5-6-8-14(13)18-15(16(2,3)4)11-19-10-9-17-12-19/h9-10,12-15,18H,5-8,11H2,1-4H3
InChIKeyPLZQIKHUYSIJMG-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 N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-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

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyloxolan-3-amine
CID 113289616
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853293
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine
CID 43749574
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine
CID 104859696
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 43749450
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93276734
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466320
N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
CID 107445275
3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
CID 65337512
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine (CID 43749491) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine is CC1CCCCC1NC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine?
The InChIKey is PLZQIKHUYSIJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13-7-5-6-8-14(13)18-15(16(2,3)4)11-19-10-9-17-12-19/h9-10,12-15,18H,5-8,11H2,1-4H3.
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-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 N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43749491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).