N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine

C13H25N5 — CID 114222797

IUPACN'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
SMILESCCCn1nncc1NCCN(C)C1CCCC1
InChIInChI=1S/C13H25N5/c1-3-9-18-13(11-15-16-18)14-8-10-17(2)12-6-4-5-7-12/h11-12,14H,3-10H2,1-2H3
InChIKeyNVZQWCFFXFDQBV-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.97
Rot. Bonds7

About N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine (PubChem CID 114222797) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
PubChem CID114222797
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
SMILESCCCn1nncc1NCCN(C)C1CCCC1
InChIInChI=1S/C13H25N5/c1-3-9-18-13(11-15-16-18)14-8-10-17(2)12-6-4-5-7-12/h11-12,14H,3-10H2,1-2H3
InChIKeyNVZQWCFFXFDQBV-UHFFFAOYSA-N
XLogP1.97
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-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

N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine
CID 114223433
5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
CID 104534597
N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine
CID 114222854
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine
CID 114222902
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177
N'-cyclopentyl-N-(6-hydrazinylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 80914281
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide
CID 114222846
5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598
N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63317997

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine (CID 114222797) is N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine is CCCn1nncc1NCCN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine?
The InChIKey is NVZQWCFFXFDQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-9-18-13(11-15-16-18)14-8-10-17(2)12-6-4-5-7-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 114222797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).