3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine

C18H35N3 — CID 115857679

IUPAC3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1ccnn1CCC
InChIInChI=1S/C18H35N3/c1-7-10-19-16(13-15(3)14-18(4,5)6)17-9-11-20-21(17)12-8-2/h9,11,15-16,19H,7-8,10,12-14H2,1-6H3
InChIKeyXNVUSYJHKLPMMI-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.80
Rot. Bonds9

About 3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine

3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine (PubChem CID 115857679) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine.

Molecular Properties

Compound Name3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine
PubChem CID115857679
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1ccnn1CCC
InChIInChI=1S/C18H35N3/c1-7-10-19-16(13-15(3)14-18(4,5)6)17-9-11-20-21(17)12-8-2/h9,11,15-16,19H,7-8,10,12-14H2,1-6H3
InChIKeyXNVUSYJHKLPMMI-UHFFFAOYSA-N
XLogP4.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 105148237
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63976175
N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine
CID 105038801
N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 116662180
3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine
CID 63502641
2-N,2-N-diethyl-2-methyl-1-N-propyl-1-(2-propylpyrazol-3-yl)propane-1,2-diamine
CID 79050831
1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43494313
N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63975942
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65133056
[3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butyl]hydrazine
CID 103025317

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine?
The IUPAC name of 3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine (CID 115857679) is 3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine.
What is the SMILES notation for 3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine?
The canonical SMILES for 3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine is CCCNC(CC(C)CC(C)(C)C)c1ccnn1CCC.
What is the InChIKey of 3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine?
The InChIKey is XNVUSYJHKLPMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-7-10-19-16(13-15(3)14-18(4,5)6)17-9-11-20-21(17)12-8-2/h9,11,15-16,19H,7-8,10,12-14H2,1-6H3.
What are the key properties of 3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine?
3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine is sourced from PubChem (CID 115857679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).