N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine

C12H22N4 — CID 63314803

IUPACN'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCc1ccn[nH]1)C1CCCC1
InChIInChI=1S/C12H22N4/c1-16(12-4-2-3-5-12)9-8-13-10-11-6-7-14-15-11/h6-7,12-13H,2-5,8-10H2,1H3,(H,14,15)
InChIKeyATKNTTKNTXCTIG-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.37
Rot. Bonds6

About N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 63314803) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID63314803
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCc1ccn[nH]1)C1CCCC1
InChIInChI=1S/C12H22N4/c1-16(12-4-2-3-5-12)9-8-13-10-11-6-7-14-15-11/h6-7,12-13H,2-5,8-10H2,1H3,(H,14,15)
InChIKeyATKNTTKNTXCTIG-UHFFFAOYSA-N
XLogP1.37
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine
CID 55204874
N'-cyclopentyl-N'-methyl-N-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 63314495
N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 63314418
N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 63314701
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 115656617
N'-cyclopentyl-N'-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 119123770
N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
CID 115655056
N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60733454
N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 63318484
N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 119127207
N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 103399101

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine (CID 63314803) is N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine is CN(CCNCc1ccn[nH]1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is ATKNTTKNTXCTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-16(12-4-2-3-5-12)9-8-13-10-11-6-7-14-15-11/h6-7,12-13H,2-5,8-10H2,1H3,(H,14,15).
What are the key properties of N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63314803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).