N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine

C14H26N4 — CID 103001382

IUPACN'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCN(CCNCCc1cnn(C)c1)C1CCCC1
InChIInChI=1S/C14H26N4/c1-17(14-5-3-4-6-14)10-9-15-8-7-13-11-16-18(2)12-13/h11-12,14-15H,3-10H2,1-2H3
InChIKeyFOAYWRJQHFIGFX-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.43
Rot. Bonds7

About N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine (PubChem CID 103001382) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
PubChem CID103001382
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCN(CCNCCc1cnn(C)c1)C1CCCC1
InChIInChI=1S/C14H26N4/c1-17(14-5-3-4-6-14)10-9-15-8-7-13-11-16-18(2)12-13/h11-12,14-15H,3-10H2,1-2H3
InChIKeyFOAYWRJQHFIGFX-UHFFFAOYSA-N
XLogP1.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N'-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62977755
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 103002222
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866
4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106133809
N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 62977038
N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide
CID 80689002
6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230
N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 106813065

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine (CID 103001382) is N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine is CN(CCNCCc1cnn(C)c1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The InChIKey is FOAYWRJQHFIGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-17(14-5-3-4-6-14)10-9-15-8-7-13-11-16-18(2)12-13/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 103001382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).