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

C15H30N4 — CID 79062553

IUPAC2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1cnn(C)c1)C(CC)(CC)N(C)C
InChIInChI=1S/C15H30N4/c1-7-10-16-14(13-11-17-19(6)12-13)15(8-2,9-3)18(4)5/h11-12,14,16H,7-10H2,1-6H3
InChIKeyUIFLSZWXRKZXFA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.58
Rot. Bonds8

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

2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine (PubChem CID 79062553) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine
PubChem CID79062553
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1cnn(C)c1)C(CC)(CC)N(C)C
InChIInChI=1S/C15H30N4/c1-7-10-16-14(13-11-17-19(6)12-13)15(8-2,9-3)18(4)5/h11-12,14,16H,7-10H2,1-6H3
InChIKeyUIFLSZWXRKZXFA-UHFFFAOYSA-N
XLogP2.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497251
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 114656917
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 115808764
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 79059100
2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 104515831
2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 116725958
2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
CID 114246305
N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 65200711

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine (CID 79062553) is 2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine is CCCNC(c1cnn(C)c1)C(CC)(CC)N(C)C.
What is the InChIKey of 2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine?
The InChIKey is UIFLSZWXRKZXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-7-10-16-14(13-11-17-19(6)12-13)15(8-2,9-3)18(4)5/h11-12,14,16H,7-10H2,1-6H3.
What are the key properties of 2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine?
2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79062553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).