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

C12H24N4 — CID 61438594

IUPAC2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
SMILESCCCCC(CN)N(C)Cc1cnn(C)c1
InChIInChI=1S/C12H24N4/c1-4-5-6-12(7-13)15(2)9-11-8-14-16(3)10-11/h8,10,12H,4-7,9,13H2,1-3H3
InChIKeyKBEYSFIVGVQXEW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.37
Rot. Bonds7

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

2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine (PubChem CID 61438594) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
PubChem CID61438594
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
SMILESCCCCC(CN)N(C)Cc1cnn(C)c1
InChIInChI=1S/C12H24N4/c1-4-5-6-12(7-13)15(2)9-11-8-14-16(3)10-11/h8,10,12H,4-7,9,13H2,1-3H3
InChIKeyKBEYSFIVGVQXEW-UHFFFAOYSA-N
XLogP1.37
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine
CID 61438547
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]-1-N-pentylpropane-1,2-diamine
CID 62570366
(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
CID 93368050
2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 61415296
1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
N-methyl-1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438129
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 62461742
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]butane-1,2-diamine
CID 55072634
2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 62505722
1-N-ethyl-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
CID 62463522

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine (CID 61438594) is 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine is CCCCC(CN)N(C)Cc1cnn(C)c1.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine?
The InChIKey is KBEYSFIVGVQXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-5-6-12(7-13)15(2)9-11-8-14-16(3)10-11/h8,10,12H,4-7,9,13H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine?
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.37, 7 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]hexane-1,2-diamine is sourced from PubChem (CID 61438594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).