1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine

C15H30N4 — CID 103011204

IUPAC1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
SMILESCCNC(CCc1cnn(C)c1)CCN(CC)CC
InChIInChI=1S/C15H30N4/c1-5-16-15(10-11-19(6-2)7-3)9-8-14-12-17-18(4)13-14/h12-13,15-16H,5-11H2,1-4H3
InChIKeyJLMYXJXKAOZIPJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.06
Rot. Bonds10

About 1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine

1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine (PubChem CID 103011204) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
PubChem CID103011204
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
SMILESCCNC(CCc1cnn(C)c1)CCN(CC)CC
InChIInChI=1S/C15H30N4/c1-5-16-15(10-11-19(6-2)7-3)9-8-14-12-17-18(4)13-14/h12-13,15-16H,5-11H2,1-4H3
InChIKeyJLMYXJXKAOZIPJ-UHFFFAOYSA-N
XLogP2.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 105244100
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
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-1-(4-methylphenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010863
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553
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-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 105114186

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine (CID 103011204) is 1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine is CCNC(CCc1cnn(C)c1)CCN(CC)CC.
What is the InChIKey of 1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine?
The InChIKey is JLMYXJXKAOZIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-16-15(10-11-19(6-2)7-3)9-8-14-12-17-18(4)13-14/h12-13,15-16H,5-11H2,1-4H3.
What are the key properties of 1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine?
1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine is sourced from PubChem (CID 103011204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).