N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine

C16H27N3 — CID 81030505

IUPACN-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCn1nccc1C1CC(C)(C)CCC1CNC1CC1
InChIInChI=1S/C16H27N3/c1-16(2)8-6-12(11-17-13-4-5-13)14(10-16)15-7-9-18-19(15)3/h7,9,12-14,17H,4-6,8,10-11H2,1-3H3
InChIKeySVOSPMNLQFPRGA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.08
Rot. Bonds4

About N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine

N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81030505) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81030505
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCn1nccc1C1CC(C)(C)CCC1CNC1CC1
InChIInChI=1S/C16H27N3/c1-16(2)8-6-12(11-17-13-4-5-13)14(10-16)15-7-9-18-19(15)3/h7,9,12-14,17H,4-6,8,10-11H2,1-3H3
InChIKeySVOSPMNLQFPRGA-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine 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-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81022983
N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine
CID 81025720
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 114667577
N-[[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81031245
[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012812
N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030736
4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030735
(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 129339482
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114667553
N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine
CID 81033039
2-(2-methylpyrazol-3-yl)cyclohexan-1-amine
CID 63961612

Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine (CID 81030505) is N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine is Cn1nccc1C1CC(C)(C)CCC1CNC1CC1.
What is the InChIKey of N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is SVOSPMNLQFPRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(2)8-6-12(11-17-13-4-5-13)14(10-16)15-7-9-18-19(15)3/h7,9,12-14,17H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine?
N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81030505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).