(3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine

C15H30N4 — CID 164643179

IUPAC(3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine
SMILESC[C@@H](CCNCc1cn(C)nc1C(C)(C)C)N(C)C
InChIInChI=1S/C15H30N4/c1-12(18(5)6)8-9-16-10-13-11-19(7)17-14(13)15(2,3)4/h11-12,16H,8-10H2,1-7H3/t12-/m0/s1
InChIKeyWWSXKPJGQNTQMH-LBPRGKRZSA-N
MW266.43 g/mol
LogP2.15
Rot. Bonds6

About (3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine

(3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 164643179) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is (3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name(3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine
PubChem CID164643179
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name(3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine
SMILESC[C@@H](CCNCc1cn(C)nc1C(C)(C)C)N(C)C
InChIInChI=1S/C15H30N4/c1-12(18(5)6)8-9-16-10-13-11-19(7)17-14(13)15(2,3)4/h11-12,16H,8-10H2,1-7H3/t12-/m0/s1
InChIKeyWWSXKPJGQNTQMH-LBPRGKRZSA-N
XLogP2.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-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 (3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of (3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine (CID 164643179) is (3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for (3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for (3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine is C[C@@H](CCNCc1cn(C)nc1C(C)(C)C)N(C)C.
What is the InChIKey of (3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is WWSXKPJGQNTQMH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H30N4/c1-12(18(5)6)8-9-16-10-13-11-19(7)17-14(13)15(2,3)4/h11-12,16H,8-10H2,1-7H3/t12-/m0/s1.
What are the key properties of (3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine?
(3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 164643179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).