4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine

C14H28N4 — CID 103011097

IUPAC4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
SMILESCCC(CC)(C(N)CCc1ccnn1C)N(C)C
InChIInChI=1S/C14H28N4/c1-6-14(7-2,17(3)4)13(15)9-8-12-10-11-16-18(12)5/h10-11,13H,6-9,15H2,1-5H3
InChIKeyBWRNFMCSVZLJRZ-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.80
Rot. Bonds7

About 4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine

4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine (PubChem CID 103011097) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine.

Molecular Properties

Compound Name4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
PubChem CID103011097
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
SMILESCCC(CC)(C(N)CCc1ccnn1C)N(C)C
InChIInChI=1S/C14H28N4/c1-6-14(7-2,17(3)4)13(15)9-8-12-10-11-16-18(12)5/h10-11,13H,6-9,15H2,1-5H3
InChIKeyBWRNFMCSVZLJRZ-UHFFFAOYSA-N
XLogP1.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011051
4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine
CID 103010123
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine
CID 103010021
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030498
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010593

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine?
The IUPAC name of 4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine (CID 103011097) is 4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine.
What is the SMILES notation for 4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine?
The canonical SMILES for 4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine is CCC(CC)(C(N)CCc1ccnn1C)N(C)C.
What is the InChIKey of 4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine?
The InChIKey is BWRNFMCSVZLJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-14(7-2,17(3)4)13(15)9-8-12-10-11-16-18(12)5/h10-11,13H,6-9,15H2,1-5H3.
What are the key properties of 4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine?
4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine has a molecular weight of 252.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine is sourced from PubChem (CID 103011097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).