3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine

C15H30N4 — CID 79062269

IUPAC3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCn1nc(C)cc1CC(N)C(CC)(CC)N(C)C
InChIInChI=1S/C15H30N4/c1-7-15(8-2,18(5)6)14(16)11-13-10-12(4)17-19(13)9-3/h10,14H,7-9,11,16H2,1-6H3
InChIKeyZKTJCWCEKHMPTI-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.20
Rot. Bonds7

About 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine

3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine (PubChem CID 79062269) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine
PubChem CID79062269
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCn1nc(C)cc1CC(N)C(CC)(CC)N(C)C
InChIInChI=1S/C15H30N4/c1-7-15(8-2,18(5)6)14(16)11-13-10-12(4)17-19(13)9-3/h10,14H,7-9,11,16H2,1-6H3
InChIKeyZKTJCWCEKHMPTI-UHFFFAOYSA-N
XLogP2.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N-diethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutane-2,3-diamine
CID 79053571
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068561
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79616916
1-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ylhydrazine
CID 105201198
[1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202931
5-[2-(bromomethyl)-4-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66047676
1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79060933
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420760
[1-(2-chlorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105209436
ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol
CID 169135386
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105162414

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine?
The IUPAC name of 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine (CID 79062269) is 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine.
What is the SMILES notation for 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine?
The canonical SMILES for 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine is CCn1nc(C)cc1CC(N)C(CC)(CC)N(C)C.
What is the InChIKey of 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine?
The InChIKey is ZKTJCWCEKHMPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-7-15(8-2,18(5)6)14(16)11-13-10-12(4)17-19(13)9-3/h10,14H,7-9,11,16H2,1-6H3.
What are the key properties of 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine?
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine is sourced from PubChem (CID 79062269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).