N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine

C17H33N3 — CID 115706653

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
SMILESCc1cc(C)n(CCCNC(CC(C)C)CC(C)C)n1
InChIInChI=1S/C17H33N3/c1-13(2)10-17(11-14(3)4)18-8-7-9-20-16(6)12-15(5)19-20/h12-14,17-18H,7-11H2,1-6H3
InChIKeyIKFKUMIXYPEHOS-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.94
Rot. Bonds9

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine (PubChem CID 115706653) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
PubChem CID115706653
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
SMILESCc1cc(C)n(CCCNC(CC(C)C)CC(C)C)n1
InChIInChI=1S/C17H33N3/c1-13(2)10-17(11-14(3)4)18-8-7-9-20-16(6)12-15(5)19-20/h12-14,17-18H,7-11H2,1-6H3
InChIKeyIKFKUMIXYPEHOS-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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

2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536319
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706659
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
1-cyclobutyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-2-amine
CID 115706636
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]butanoate
CID 115977434
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
1-cyclopropyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-1-amine
CID 115706698
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine
CID 115706617
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]ethyl]-5-methylphenol
CID 104581513
3-(3,5-dimethylpyrazol-1-yl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115886215
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 131935574

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine (CID 115706653) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine is Cc1cc(C)n(CCCNC(CC(C)C)CC(C)C)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine?
The InChIKey is IKFKUMIXYPEHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-13(2)10-17(11-14(3)4)18-8-7-9-20-16(6)12-15(5)19-20/h12-14,17-18H,7-11H2,1-6H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine has a molecular weight of 279.47 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 115706653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).