(2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine

C13H26N4 — CID 93257810

IUPAC(2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine
SMILESCc1[nH]ncc1CNC[C@H](CC(C)C)N(C)C
InChIInChI=1S/C13H26N4/c1-10(2)6-13(17(4)5)9-14-7-12-8-15-16-11(12)3/h8,10,13-14H,6-7,9H2,1-5H3,(H,15,16)/t13-/m0/s1
InChIKeyINFZHULEPCGNGL-ZDUSSCGKSA-N
MW238.38 g/mol
LogP1.78
Rot. Bonds7

About (2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine

(2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine (PubChem CID 93257810) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is (2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine
PubChem CID93257810
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name(2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine
SMILESCc1[nH]ncc1CNC[C@H](CC(C)C)N(C)C
InChIInChI=1S/C13H26N4/c1-10(2)6-13(17(4)5)9-14-7-12-8-15-16-11(12)3/h8,10,13-14H,6-7,9H2,1-5H3,(H,15,16)/t13-/m0/s1
InChIKeyINFZHULEPCGNGL-ZDUSSCGKSA-N
XLogP1.78
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine with MolForge

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Related Compounds

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CID 56820931
2-[4-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine
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methyl((3-methyl-1H-pyrazol-4-yl)methyl)amine dihydrochloride
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2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
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2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
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N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
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CID 43747825
2-(azepan-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 86808497
2-[(3S)-3-methylpiperidin-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 97837262
(3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine?
The IUPAC name of (2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine (CID 93257810) is (2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for (2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for (2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine is Cc1[nH]ncc1CNC[C@H](CC(C)C)N(C)C.
What is the InChIKey of (2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine?
The InChIKey is INFZHULEPCGNGL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26N4/c1-10(2)6-13(17(4)5)9-14-7-12-8-15-16-11(12)3/h8,10,13-14H,6-7,9H2,1-5H3,(H,15,16)/t13-/m0/s1.
What are the key properties of (2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine?
(2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 93257810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).