N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine

C10H19N3 — CID 64504195

IUPACN-methyl-3-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1CCCNC
InChIInChI=1S/C10H19N3/c1-3-8-13-9-7-12-10(13)5-4-6-11-2/h7,9,11H,3-6,8H2,1-2H3
InChIKeyUQWLOUQXOFECBG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.45
Rot. Bonds6

About N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine

N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine (PubChem CID 64504195) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-propylimidazol-2-yl)propan-1-amine
PubChem CID64504195
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-methyl-3-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1CCCNC
InChIInChI=1S/C10H19N3/c1-3-8-13-9-7-12-10(13)5-4-6-11-2/h7,9,11H,3-6,8H2,1-2H3
InChIKeyUQWLOUQXOFECBG-UHFFFAOYSA-N
XLogP1.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.45
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 N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine (CID 64504195) is N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine is CCCn1ccnc1CCCNC.
What is the InChIKey of N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine?
The InChIKey is UQWLOUQXOFECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-8-13-9-7-12-10(13)5-4-6-11-2/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine?
N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-propylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 64504195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).