trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine

C11H20N4 — CID 175633952

IUPACtrans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine
SMILESCN[C@@H]1CCCC[C@H]1NCc1ccn[nH]1
InChIInChI=1S/C11H20N4/c1-12-10-4-2-3-5-11(10)13-8-9-6-7-14-15-9/h6-7,10-13H,2-5,8H2,1H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyRGHUGGQAKCTVCI-GHMZBOCLSA-N
MW208.31 g/mol
LogP1.03
Rot. Bonds4

About trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine

trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 175633952) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine
PubChem CID175633952
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Nametrans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine
SMILESCN[C@@H]1CCCC[C@H]1NCc1ccn[nH]1
InChIInChI=1S/C11H20N4/c1-12-10-4-2-3-5-11(10)13-8-9-6-7-14-15-9/h6-7,10-13H,2-5,8H2,1H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyRGHUGGQAKCTVCI-GHMZBOCLSA-N
XLogP1.03
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine 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

2-(1H-pyrazol-5-ylmethylamino)cyclopentan-1-ol
CID 115641893
2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 61284102
2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine
CID 102671469
3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine
CID 130173693
(3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol
CID 130680255
2,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine
CID 79831028
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
4-(1H-pyrazol-5-ylmethylamino)cyclohexan-1-ol
CID 43662327
9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471806
4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 61284882
N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
CID 63314803
tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 129400144

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine (CID 175633952) is trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine is CN[C@@H]1CCCC[C@H]1NCc1ccn[nH]1.
What is the InChIKey of trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is RGHUGGQAKCTVCI-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20N4/c1-12-10-4-2-3-5-11(10)13-8-9-6-7-14-15-9/h6-7,10-13H,2-5,8H2,1H3,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 175633952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).