2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine

C12H24N4 — CID 103011226

IUPAC2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
SMILESCCNC(CCc1cnn(C)c1)CN(C)C
InChIInChI=1S/C12H24N4/c1-5-13-12(10-15(2)3)7-6-11-8-14-16(4)9-11/h8-9,12-13H,5-7,10H2,1-4H3
InChIKeyFIENRMFTDHAWAP-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.89
Rot. Bonds7

About 2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine (PubChem CID 103011226) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
PubChem CID103011226
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
SMILESCCNC(CCc1cnn(C)c1)CN(C)C
InChIInChI=1S/C12H24N4/c1-5-13-12(10-15(2)3)7-6-11-8-14-16(4)9-11/h8-9,12-13H,5-7,10H2,1-4H3
InChIKeyFIENRMFTDHAWAP-UHFFFAOYSA-N
XLogP0.89
TPSA33.09 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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
CID 103011204
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
CID 103012216
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225
N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
CID 103009843
N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 105114186
N-ethyl-1-(4-methylphenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010863
1-(3-bromophenyl)-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009375
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine
CID 103009231
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
CID 62126755

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine (CID 103011226) is 2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine is CCNC(CCc1cnn(C)c1)CN(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine?
The InChIKey is FIENRMFTDHAWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-13-12(10-15(2)3)7-6-11-8-14-16(4)9-11/h8-9,12-13H,5-7,10H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine is sourced from PubChem (CID 103011226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).