1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine

C15H30N4 — CID 115346469

IUPAC1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine
SMILESCCC(CC)n1ccc(CC(CCN(C)C)NC)n1
InChIInChI=1S/C15H30N4/c1-6-15(7-2)19-11-9-14(17-19)12-13(16-3)8-10-18(4)5/h9,11,13,15-16H,6-8,10,12H2,1-5H3
InChIKeyYQTZOGPULALSHT-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.33
Rot. Bonds9

About 1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine

1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine (PubChem CID 115346469) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine
PubChem CID115346469
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine
SMILESCCC(CC)n1ccc(CC(CCN(C)C)NC)n1
InChIInChI=1S/C15H30N4/c1-6-15(7-2)19-11-9-14(17-19)12-13(16-3)8-10-18(4)5/h9,11,13,15-16H,6-8,10,12H2,1-5H3
InChIKeyYQTZOGPULALSHT-UHFFFAOYSA-N
XLogP2.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,2-N-trimethyl-3-(1-pentan-3-ylpyrazol-3-yl)propane-1,2-diamine
CID 79092424
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65135128
N,4,5,5-tetramethyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 104991826
1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 103559441
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346312
1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65139202
1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 64784791
3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116715598
1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ylhydrazine
CID 105313398
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104991781
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-pyrimidin-4-ylethanamine
CID 64778037

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine (CID 115346469) is 1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine is CCC(CC)n1ccc(CC(CCN(C)C)NC)n1.
What is the InChIKey of 1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine?
The InChIKey is YQTZOGPULALSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-15(7-2)19-11-9-14(17-19)12-13(16-3)8-10-18(4)5/h9,11,13,15-16H,6-8,10,12H2,1-5H3.
What are the key properties of 1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine?
1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.33, 9 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-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine is sourced from PubChem (CID 115346469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).