6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine

C17H33N3 — CID 105127219

IUPAC6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
SMILESCCCNC(CCc1c(C)nn(C)c1C)CCC(C)C
InChIInChI=1S/C17H33N3/c1-7-12-18-16(9-8-13(2)3)10-11-17-14(4)19-20(6)15(17)5/h13,16,18H,7-12H2,1-6H3
InChIKeyXNFVICDNSZUTLN-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.77
Rot. Bonds9

About 6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine

6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine (PubChem CID 105127219) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine.

Molecular Properties

Compound Name6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
PubChem CID105127219
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
SMILESCCCNC(CCc1c(C)nn(C)c1C)CCC(C)C
InChIInChI=1S/C17H33N3/c1-7-12-18-16(9-8-13(2)3)10-11-17-14(4)19-20(6)15(17)5/h13,16,18H,7-12H2,1-6H3
InChIKeyXNFVICDNSZUTLN-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine
CID 105181594
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-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine
CID 105078315
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105166584
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine
CID 105179515

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine?
The IUPAC name of 6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine (CID 105127219) is 6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine.
What is the SMILES notation for 6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine?
The canonical SMILES for 6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine is CCCNC(CCc1c(C)nn(C)c1C)CCC(C)C.
What is the InChIKey of 6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine?
The InChIKey is XNFVICDNSZUTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-7-12-18-16(9-8-13(2)3)10-11-17-14(4)19-20(6)15(17)5/h13,16,18H,7-12H2,1-6H3.
What are the key properties of 6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine?
6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine has a molecular weight of 279.47 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine is sourced from PubChem (CID 105127219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).