2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine

C14H27N3 — CID 82870607

IUPAC2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)Cc1ccn(C)n1
InChIInChI=1S/C14H27N3/c1-5-9-15-12-14(6-2,7-3)11-13-8-10-17(4)16-13/h8,10,15H,5-7,9,11-12H2,1-4H3
InChIKeyFCZPIGYMOKWTJY-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.77
Rot. Bonds8

About 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine

2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine (PubChem CID 82870607) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine
PubChem CID82870607
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)Cc1ccn(C)n1
InChIInChI=1S/C14H27N3/c1-5-9-15-12-14(6-2,7-3)11-13-8-10-17(4)16-13/h8,10,15H,5-7,9,11-12H2,1-4H3
InChIKeyFCZPIGYMOKWTJY-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.77
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-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82870837
N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 82870716
2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine
CID 64773388
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol
CID 82871026
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999
2,2-dimethyl-3-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-1-amine
CID 64778102
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 82882611
N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882063
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
CID 82869291
3,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105025716
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 82872100

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine (CID 82870607) is 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine is CCCNCC(CC)(CC)Cc1ccn(C)n1.
What is the InChIKey of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine?
The InChIKey is FCZPIGYMOKWTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-9-15-12-14(6-2,7-3)11-13-8-10-17(4)16-13/h8,10,15H,5-7,9,11-12H2,1-4H3.
What are the key properties of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine?
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine is sourced from PubChem (CID 82870607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).