2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine

C18H35N3 — CID 64779477

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

About 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine

2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine (PubChem CID 64779477) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
PubChem CID64779477
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
SMILESCCCNCC(C)(CCC)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C18H35N3/c1-6-11-18(5,15-19-12-7-2)14-16-10-13-21(20-16)17(8-3)9-4/h10,13,17,19H,6-9,11-12,14-15H2,1-5H3
InChIKeyDQBVPGWHJNIWIN-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine?
The IUPAC name of 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine (CID 64779477) is 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine.
What is the SMILES notation for 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine?
The canonical SMILES for 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine is CCCNCC(C)(CCC)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine?
The InChIKey is DQBVPGWHJNIWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-6-11-18(5,15-19-12-7-2)14-16-10-13-21(20-16)17(8-3)9-4/h10,13,17,19H,6-9,11-12,14-15H2,1-5H3.
What are the key properties of 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine?
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-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-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine is sourced from PubChem (CID 64779477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).