10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium

C23H48N3+ — CID 134365561

IUPAC10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium
SMILESC=C(C)CC(=C)NCCC[N+](C)(C)CCCCCCCCCCN(C)C
InChIInChI=1S/C23H48N3/c1-22(2)21-23(3)24-17-16-20-26(6,7)19-15-13-11-9-8-10-12-14-18-25(4)5/h24H,1,3,8-21H2,2,4-7H3/q+1
InChIKeyLPQWGQDDIGJLNE-UHFFFAOYSA-N
MW366.66 g/mol
LogP5.20
Rot. Bonds18

About 10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium

10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium (PubChem CID 134365561) has the molecular formula C23H48N3+ and a molecular weight of 366.66 g/mol. Its IUPAC name is 10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium.

Molecular Properties

Compound Name10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium
PubChem CID134365561
Molecular FormulaC23H48N3+
Molecular Weight366.66 g/mol
Exact Mass366.38
IUPAC Name10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium
SMILESC=C(C)CC(=C)NCCC[N+](C)(C)CCCCCCCCCCN(C)C
InChIInChI=1S/C23H48N3/c1-22(2)21-23(3)24-17-16-20-26(6,7)19-15-13-11-9-8-10-12-14-18-25(4)5/h24H,1,3,8-21H2,2,4-7H3/q+1
InChIKeyLPQWGQDDIGJLNE-UHFFFAOYSA-N
XLogP5.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium?
The IUPAC name of 10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium (CID 134365561) is 10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium.
What is the SMILES notation for 10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium?
The canonical SMILES for 10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium is C=C(C)CC(=C)NCCC[N+](C)(C)CCCCCCCCCCN(C)C.
What is the InChIKey of 10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium?
The InChIKey is LPQWGQDDIGJLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N3/c1-22(2)21-23(3)24-17-16-20-26(6,7)19-15-13-11-9-8-10-12-14-18-25(4)5/h24H,1,3,8-21H2,2,4-7H3/q+1.
What are the key properties of 10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium?
10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium has a molecular weight of 366.66 g/mol, XLogP of 5.20, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium is sourced from PubChem (CID 134365561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).