N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C14H28N4 — CID 62634219

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C14H28N4/c1-12(2)17(6)8-7-15-9-13-10-16-18(11-13)14(3,4)5/h10-12,15H,7-9H2,1-6H3
InChIKeyYMTHDAREEPPPEI-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.07
Rot. Bonds6

About N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62634219) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62634219
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C14H28N4/c1-12(2)17(6)8-7-15-9-13-10-16-18(11-13)14(3,4)5/h10-12,15H,7-9H2,1-6H3
InChIKeyYMTHDAREEPPPEI-UHFFFAOYSA-N
XLogP2.07
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-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-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 43765327
4-[(1-tert-butylpyrazol-4-yl)methylamino]-1-methoxybutan-2-ol
CID 103876413
6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
CID 103924056
N-[(1-tert-butylpyrazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923032
2-(azepan-1-yl)-N-[(1-tert-butylpyrazol-4-yl)methyl]ethanamine
CID 60956791
2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 61247444
5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
CID 106234065
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 43769158
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
N-[(1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28600272
N-[(1-tert-butylpyrazol-4-yl)methyl]pentan-2-amine
CID 43757996
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352384

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 62634219) is N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNCc1cnn(C(C)(C)C)c1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is YMTHDAREEPPPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-12(2)17(6)8-7-15-9-13-10-16-18(11-13)14(3,4)5/h10-12,15H,7-9H2,1-6H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62634219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).