2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine

C18H35N3 — CID 64773388

IUPAC2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine
SMILESCCCCC(CC)(CNCCC)Cc1ccn(C(C)C)n1
InChIInChI=1S/C18H35N3/c1-6-9-11-18(8-3,15-19-12-7-2)14-17-10-13-21(20-17)16(4)5/h10,13,16,19H,6-9,11-12,14-15H2,1-5H3
InChIKeyJZFXBHDUFURDBU-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.59
Rot. Bonds11

About 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine

2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine (PubChem CID 64773388) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine
PubChem CID64773388
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine
SMILESCCCCC(CC)(CNCCC)Cc1ccn(C(C)C)n1
InChIInChI=1S/C18H35N3/c1-6-9-11-18(8-3,15-19-12-7-2)14-17-10-13-21(20-17)16(4)5/h10,13,16,19H,6-9,11-12,14-15H2,1-5H3
InChIKeyJZFXBHDUFURDBU-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine
CID 64777521
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine
CID 82870607
2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine
CID 64779275
2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64772112
2,2-dimethyl-3-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-1-amine
CID 64778102
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 64779477
tert-butyl N-[2-(hydroxymethyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butyl]carbamate
CID 106508417
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol
CID 82871026
N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64772125
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639
2,2-diethyl-N-propylnonan-1-amine
CID 63507422

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine?
The IUPAC name of 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine (CID 64773388) is 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine?
The canonical SMILES for 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine is CCCCC(CC)(CNCCC)Cc1ccn(C(C)C)n1.
What is the InChIKey of 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine?
The InChIKey is JZFXBHDUFURDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-6-9-11-18(8-3,15-19-12-7-2)14-17-10-13-21(20-17)16(4)5/h10,13,16,19H,6-9,11-12,14-15H2,1-5H3.
What are the key properties of 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine?
2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine is sourced from PubChem (CID 64773388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).