1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine

C11H22N4 — CID 62461210

IUPAC1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
SMILESCNCCC(C)N(C)Cc1cnn(C)c1
InChIInChI=1S/C11H22N4/c1-10(5-6-12-2)14(3)8-11-7-13-15(4)9-11/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyXJSLUBLJVDXPAN-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.85
Rot. Bonds6

About 1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine

1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine (PubChem CID 62461210) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
PubChem CID62461210
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
SMILESCNCCC(C)N(C)Cc1cnn(C)c1
InChIInChI=1S/C11H22N4/c1-10(5-6-12-2)14(3)8-11-7-13-15(4)9-11/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyXJSLUBLJVDXPAN-UHFFFAOYSA-N
XLogP0.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 62461742
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 62570366
N,3-dimethyl-5-(1-methylpyrazol-4-yl)pentan-1-amine
CID 103019750
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1-N-prop-2-enylpropane-1,2-diamine
CID 62570008
1-[3-[benzyl(methyl)amino]butyl]-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111719775
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347516
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 55072634
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
CID 61438594
N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine
CID 81011779

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine (CID 62461210) is 1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine is CNCCC(C)N(C)Cc1cnn(C)c1.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine?
The InChIKey is XJSLUBLJVDXPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-10(5-6-12-2)14(3)8-11-7-13-15(4)9-11/h7,9-10,12H,5-6,8H2,1-4H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine?
1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 62461210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).