N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine

C17H29N3 — CID 105181594

IUPACN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine
SMILESCC#CCCC(CCc1c(C)nn(C)c1C)NCCC
InChIInChI=1S/C17H29N3/c1-6-8-9-10-16(18-13-7-2)11-12-17-14(3)19-20(5)15(17)4/h16,18H,7,9-13H2,1-5H3
InChIKeyWCJKLMQNRSKIQY-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.14
Rot. Bonds8

About N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine

N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine (PubChem CID 105181594) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine.

Molecular Properties

Compound NameN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine
PubChem CID105181594
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine
SMILESCC#CCCC(CCc1c(C)nn(C)c1C)NCCC
InChIInChI=1S/C17H29N3/c1-6-8-9-10-16(18-13-7-2)11-12-17-14(3)19-20(5)15(17)4/h16,18H,7,9-13H2,1-5H3
InChIKeyWCJKLMQNRSKIQY-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
CID 105127219
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine
CID 105179515
N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine
CID 104811614
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
CID 105124668
1-cyclobutyl-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105187556
N-propyl-1-pyrimidin-5-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105119127
1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147287
1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836
N-propyldodec-2-yn-6-amine
CID 105037370

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine?
The IUPAC name of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine (CID 105181594) is N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine.
What is the SMILES notation for N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine?
The canonical SMILES for N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine is CC#CCCC(CCc1c(C)nn(C)c1C)NCCC.
What is the InChIKey of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine?
The InChIKey is WCJKLMQNRSKIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-6-8-9-10-16(18-13-7-2)11-12-17-14(3)19-20(5)15(17)4/h16,18H,7,9-13H2,1-5H3.
What are the key properties of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine?
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine has a molecular weight of 275.44 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine is sourced from PubChem (CID 105181594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).