7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine

C15H29N3 — CID 105177156

IUPAC7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine
SMILESCc1nn(C)c(C)c1CCC(N)CCCC(C)C
InChIInChI=1S/C15H29N3/c1-11(2)7-6-8-14(16)9-10-15-12(3)17-18(5)13(15)4/h11,14H,6-10,16H2,1-5H3
InChIKeyZJIQWCBBCXOUEM-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.12
Rot. Bonds7

About 7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine

7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine (PubChem CID 105177156) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine.

Molecular Properties

Compound Name7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine
PubChem CID105177156
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine
SMILESCc1nn(C)c(C)c1CCC(N)CCCC(C)C
InChIInChI=1S/C15H29N3/c1-11(2)7-6-8-14(16)9-10-15-12(3)17-18(5)13(15)4/h11,14H,6-10,16H2,1-5H3
InChIKeyZJIQWCBBCXOUEM-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105152911
1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105088724
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105089316
1-(4-methyl-1,3-thiazol-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105171577
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
CID 105127219
1-(3,4-difluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105176047
1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine?
The IUPAC name of 7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine (CID 105177156) is 7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine.
What is the SMILES notation for 7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine?
The canonical SMILES for 7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine is Cc1nn(C)c(C)c1CCC(N)CCCC(C)C.
What is the InChIKey of 7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine?
The InChIKey is ZJIQWCBBCXOUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-11(2)7-6-8-14(16)9-10-15-12(3)17-18(5)13(15)4/h11,14H,6-10,16H2,1-5H3.
What are the key properties of 7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine?
7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine has a molecular weight of 251.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine is sourced from PubChem (CID 105177156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).