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

C14H28N4 — CID 55072634

IUPAC2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
SMILESCCC(CNCC(C)C)N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H28N4/c1-6-14(9-15-7-12(2)3)17(4)10-13-8-16-18(5)11-13/h8,11-12,14-15H,6-7,9-10H2,1-5H3
InChIKeyCSFJQSFUOPJPCK-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.88
Rot. Bonds8

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

2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine (PubChem CID 55072634) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
PubChem CID55072634
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
SMILESCCC(CNCC(C)C)N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H28N4/c1-6-14(9-15-7-12(2)3)17(4)10-13-8-16-18(5)11-13/h8,11-12,14-15H,6-7,9-10H2,1-5H3
InChIKeyCSFJQSFUOPJPCK-UHFFFAOYSA-N
XLogP1.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 62461742
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62516241
1-N-ethyl-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
CID 62463522
1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1-N-prop-2-enylpropane-1,2-diamine
CID 62570008
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 62570366
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55069085
1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
CID 62461210
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
CID 61438594
2-methyl-N-[[5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461209
3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 103014335
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine
CID 61438547

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine (CID 55072634) is 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine is CCC(CNCC(C)C)N(C)Cc1cnn(C)c1.
What is the InChIKey of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine?
The InChIKey is CSFJQSFUOPJPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-14(9-15-7-12(2)3)17(4)10-13-8-16-18(5)11-13/h8,11-12,14-15H,6-7,9-10H2,1-5H3.
What are the key properties of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine?
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 55072634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).