1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine

C12H24N4 — CID 106757702

IUPAC1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine
SMILESCC(CCN(C)C)NC(C)c1ccnn1C
InChIInChI=1S/C12H24N4/c1-10(7-9-15(3)4)14-11(2)12-6-8-13-16(12)5/h6,8,10-11,14H,7,9H2,1-5H3
InChIKeyAHHGVUFFIALTGP-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds6

About 1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine

1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine (PubChem CID 106757702) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine
PubChem CID106757702
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine
SMILESCC(CCN(C)C)NC(C)c1ccnn1C
InChIInChI=1S/C12H24N4/c1-10(7-9-15(3)4)14-11(2)12-6-8-13-16(12)5/h6,8,10-11,14H,7,9H2,1-5H3
InChIKeyAHHGVUFFIALTGP-UHFFFAOYSA-N
XLogP1.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757976
1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine
CID 106757835
N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 106756922
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757173
3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757328
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757140
(1S)-1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757965
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 106757978

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine (CID 106757702) is 1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine is CC(CCN(C)C)NC(C)c1ccnn1C.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine?
The InChIKey is AHHGVUFFIALTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10(7-9-15(3)4)14-11(2)12-6-8-13-16(12)5/h6,8,10-11,14H,7,9H2,1-5H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine is sourced from PubChem (CID 106757702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).