2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine

C14H27N3 — CID 114246305

IUPAC2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
SMILESCCCCC(C)C(NCCC)c1cnn(C)c1
InChIInChI=1S/C14H27N3/c1-5-7-8-12(3)14(15-9-6-2)13-10-16-17(4)11-13/h10-12,14-15H,5-9H2,1-4H3
InChIKeyBQKKEXWIKJWHCP-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.29
Rot. Bonds8

About 2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine

2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine (PubChem CID 114246305) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
PubChem CID114246305
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
SMILESCCCCC(C)C(NCCC)c1cnn(C)c1
InChIInChI=1S/C14H27N3/c1-5-7-8-12(3)14(15-9-6-2)13-10-16-17(4)11-13/h10-12,14-15H,5-9H2,1-4H3
InChIKeyBQKKEXWIKJWHCP-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 43485884
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
CID 115815634
2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 116725958
N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine
CID 114282093
1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine
CID 114246234
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
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497258
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine?
The IUPAC name of 2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine (CID 114246305) is 2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine?
The canonical SMILES for 2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine is CCCCC(C)C(NCCC)c1cnn(C)c1.
What is the InChIKey of 2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine?
The InChIKey is BQKKEXWIKJWHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-7-8-12(3)14(15-9-6-2)13-10-16-17(4)11-13/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine?
2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 114246305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).