2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine

C13H26N4 — CID 61438547

IUPAC2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine
SMILESCCCCCC(CN)N(C)Cc1cnn(C)c1
InChIInChI=1S/C13H26N4/c1-4-5-6-7-13(8-14)16(2)10-12-9-15-17(3)11-12/h9,11,13H,4-8,10,14H2,1-3H3
InChIKeyLIHZUUVOTZFXGY-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.76
Rot. Bonds8

About 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine

2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine (PubChem CID 61438547) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine
PubChem CID61438547
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine
SMILESCCCCCC(CN)N(C)Cc1cnn(C)c1
InChIInChI=1S/C13H26N4/c1-4-5-6-7-13(8-14)16(2)10-12-9-15-17(3)11-12/h9,11,13H,4-8,10,14H2,1-3H3
InChIKeyLIHZUUVOTZFXGY-UHFFFAOYSA-N
XLogP1.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]nonane-1,2-diamine
CID 61438500
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
CID 61438594
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 62570366
1-(1-methylpyrazol-4-yl)tridecan-2-ylhydrazine
CID 105291057
1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
1-(1-methylpyrazol-4-yl)undecan-3-ylhydrazine
CID 103025813
N-methyl-1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438129
(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
CID 93368050
1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
CID 62461210
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 62461742
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 55072634
2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 62505722

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine (CID 61438547) is 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine is CCCCCC(CN)N(C)Cc1cnn(C)c1.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine?
The InChIKey is LIHZUUVOTZFXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-5-6-7-13(8-14)16(2)10-12-9-15-17(3)11-12/h9,11,13H,4-8,10,14H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine?
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine is sourced from PubChem (CID 61438547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).