N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine

C17H26N4 — CID 63379463

IUPACN'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine
SMILESCN(CCNCc1nn(C)c2ccccc12)C1CCCC1
InChIInChI=1S/C17H26N4/c1-20(14-7-3-4-8-14)12-11-18-13-16-15-9-5-6-10-17(15)21(2)19-16/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyXMAKMFCHOFVORD-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.54
Rot. Bonds6

About N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 63379463) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID63379463
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine
SMILESCN(CCNCc1nn(C)c2ccccc12)C1CCCC1
InChIInChI=1S/C17H26N4/c1-20(14-7-3-4-8-14)12-11-18-13-16-15-9-5-6-10-17(15)21(2)19-16/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyXMAKMFCHOFVORD-UHFFFAOYSA-N
XLogP2.54
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine (CID 63379463) is N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine is CN(CCNCc1nn(C)c2ccccc12)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is XMAKMFCHOFVORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-20(14-7-3-4-8-14)12-11-18-13-16-15-9-5-6-10-17(15)21(2)19-16/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.54, 6 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-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63379463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).