N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine

C18H35N3 — CID 105124668

IUPACN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
SMILESCCCCCCCC(Cc1c(C)nn(C)c1C)NCCC
InChIInChI=1S/C18H35N3/c1-6-8-9-10-11-12-17(19-13-7-2)14-18-15(3)20-21(5)16(18)4/h17,19H,6-14H2,1-5H3
InChIKeyYFGUVURHIMXKHW-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.31
Rot. Bonds11

About N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine

N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine (PubChem CID 105124668) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
PubChem CID105124668
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
SMILESCCCCCCCC(Cc1c(C)nn(C)c1C)NCCC
InChIInChI=1S/C18H35N3/c1-6-8-9-10-11-12-17(19-13-7-2)14-18-15(3)20-21(5)16(18)4/h17,19H,6-14H2,1-5H3
InChIKeyYFGUVURHIMXKHW-UHFFFAOYSA-N
XLogP4.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine
CID 105179515
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine
CID 104996645
1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105167081
6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
CID 105127219
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
1-(2,6-dimethylphenyl)-N-propylheptan-2-amine
CID 105024635
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine
CID 105149064
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine
CID 106800316
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propyloctan-2-amine
CID 104998184
(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]nonanoic acid
CID 162690079

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine?
The IUPAC name of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine (CID 105124668) is N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine.
What is the SMILES notation for N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine?
The canonical SMILES for N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine is CCCCCCCC(Cc1c(C)nn(C)c1C)NCCC.
What is the InChIKey of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine?
The InChIKey is YFGUVURHIMXKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-6-8-9-10-11-12-17(19-13-7-2)14-18-15(3)20-21(5)16(18)4/h17,19H,6-14H2,1-5H3.
What are the key properties of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine?
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine has a molecular weight of 293.50 g/mol, XLogP of 4.31, 11 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)nonan-2-amine is sourced from PubChem (CID 105124668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).