6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine

C15H29N3 — CID 103009592

IUPAC6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
SMILESCCCNC(CCc1ccnn1C)CCC(C)C
InChIInChI=1S/C15H29N3/c1-5-11-16-14(7-6-13(2)3)8-9-15-10-12-17-18(15)4/h10,12-14,16H,5-9,11H2,1-4H3
InChIKeyVYZMCFXKYFUPDN-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.16
Rot. Bonds9

About 6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine

6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine (PubChem CID 103009592) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine.

Molecular Properties

Compound Name6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
PubChem CID103009592
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
SMILESCCCNC(CCc1ccnn1C)CCC(C)C
InChIInChI=1S/C15H29N3/c1-5-11-16-14(7-6-13(2)3)8-9-15-10-12-17-18(15)4/h10,12-14,16H,5-9,11H2,1-4H3
InChIKeyVYZMCFXKYFUPDN-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 103004378
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
CID 104695096
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103012292
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 105127031
4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103012429
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine?
The IUPAC name of 6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine (CID 103009592) is 6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine.
What is the SMILES notation for 6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine?
The canonical SMILES for 6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine is CCCNC(CCc1ccnn1C)CCC(C)C.
What is the InChIKey of 6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine?
The InChIKey is VYZMCFXKYFUPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-11-16-14(7-6-13(2)3)8-9-15-10-12-17-18(15)4/h10,12-14,16H,5-9,11H2,1-4H3.
What are the key properties of 6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine?
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine has a molecular weight of 251.42 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine is sourced from PubChem (CID 103009592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).