1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine

C13H26N4 — CID 113285556

IUPAC1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCc1cc(CN(C)CCC(N)C(C)C)n(C)n1
InChIInChI=1S/C13H26N4/c1-10(2)13(14)6-7-16(4)9-12-8-11(3)15-17(12)5/h8,10,13H,6-7,9,14H2,1-5H3
InChIKeyMLTOLAKHCCMJFK-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.53
Rot. Bonds6

About 1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine

1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 113285556) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID113285556
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCc1cc(CN(C)CCC(N)C(C)C)n(C)n1
InChIInChI=1S/C13H26N4/c1-10(2)13(14)6-7-16(4)9-12-8-11(3)15-17(12)5/h8,10,13H,6-7,9,14H2,1-5H3
InChIKeyMLTOLAKHCCMJFK-UHFFFAOYSA-N
XLogP1.53
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol
CID 107203759
1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine
CID 115317920
1-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 79389441
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine
CID 81490431
N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 81484328
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
1-N-[(2,4-dimethylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317239
4-(2,5-dimethylpyrazol-3-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259282
1-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317930
1-N-[(3,6-dichloro-2-pyridinyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 113285541
1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069976

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine (CID 113285556) is 1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine is Cc1cc(CN(C)CCC(N)C(C)C)n(C)n1.
What is the InChIKey of 1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is MLTOLAKHCCMJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-10(2)13(14)6-7-16(4)9-12-8-11(3)15-17(12)5/h8,10,13H,6-7,9,14H2,1-5H3.
What are the key properties of 1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 113285556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).