5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine

C19H33N3 — CID 139230537

IUPAC5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine
SMILESC=CCN(CC=C)c1nc(CCCCC)c(CCCC)n1C
InChIInChI=1S/C19H33N3/c1-6-10-12-13-17-18(14-11-7-2)21(5)19(20-17)22(15-8-3)16-9-4/h8-9H,3-4,6-7,10-16H2,1-2,5H3
InChIKeyVOVLMUAPUWWKAI-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.67
Rot. Bonds12

About 5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine

5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine (PubChem CID 139230537) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine.

Molecular Properties

Compound Name5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine
PubChem CID139230537
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine
SMILESC=CCN(CC=C)c1nc(CCCCC)c(CCCC)n1C
InChIInChI=1S/C19H33N3/c1-6-10-12-13-17-18(14-11-7-2)21(5)19(20-17)22(15-8-3)16-9-4/h8-9H,3-4,6-7,10-16H2,1-2,5H3
InChIKeyVOVLMUAPUWWKAI-UHFFFAOYSA-N
XLogP4.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 10977394
CID 10977394
CID 11769714
CID 11769714
CID 146377520
CID 146377520
CID 146377888
CID 146377888
CID 156432675
CID 156432675
CID 170093636
CID 170093636
CID 15684224
CID 15684224
CID 132279252
CID 132279252
CID 139230539
CID 139230539
CID 88515381
CID 88515381
CID 171926513
CID 171926513
CID 19357647
CID 19357647

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine?
The IUPAC name of 5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine (CID 139230537) is 5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine.
What is the SMILES notation for 5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine?
The canonical SMILES for 5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine is C=CCN(CC=C)c1nc(CCCCC)c(CCCC)n1C.
What is the InChIKey of 5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine?
The InChIKey is VOVLMUAPUWWKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-6-10-12-13-17-18(14-11-7-2)21(5)19(20-17)22(15-8-3)16-9-4/h8-9H,3-4,6-7,10-16H2,1-2,5H3.
What are the key properties of 5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine?
5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine has a molecular weight of 303.49 g/mol, XLogP of 4.67, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine is sourced from PubChem (CID 139230537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).