methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium

C24H49N2+ — CID 123703483

IUPACmethyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium
SMILESCCC(CCC(C)C)[N+](C)(C=CCCCCCNC1CCC1C)C(C)C
InChIInChI=1S/C24H49N2/c1-8-23(16-14-20(2)3)26(7,21(4)5)19-13-11-9-10-12-18-25-24-17-15-22(24)6/h13,19-25H,8-12,14-18H2,1-7H3/q+1
InChIKeyBTWRRDDRFRNLKL-UHFFFAOYSA-N
MW365.67 g/mol
LogP6.52
Rot. Bonds14

About methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium

methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium (PubChem CID 123703483) has the molecular formula C24H49N2+ and a molecular weight of 365.67 g/mol. Its IUPAC name is methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium.

Molecular Properties

Compound Namemethyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium
PubChem CID123703483
Molecular FormulaC24H49N2+
Molecular Weight365.67 g/mol
Exact Mass365.39
IUPAC Namemethyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium
SMILESCCC(CCC(C)C)[N+](C)(C=CCCCCCNC1CCC1C)C(C)C
InChIInChI=1S/C24H49N2/c1-8-23(16-14-20(2)3)26(7,21(4)5)19-13-11-9-10-12-18-25-24-17-15-22(24)6/h13,19-25H,8-12,14-18H2,1-7H3/q+1
InChIKeyBTWRRDDRFRNLKL-UHFFFAOYSA-N
XLogP6.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.67
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium?
The IUPAC name of methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium (CID 123703483) is methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium.
What is the SMILES notation for methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium?
The canonical SMILES for methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium is CCC(CCC(C)C)[N+](C)(C=CCCCCCNC1CCC1C)C(C)C.
What is the InChIKey of methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium?
The InChIKey is BTWRRDDRFRNLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N2/c1-8-23(16-14-20(2)3)26(7,21(4)5)19-13-11-9-10-12-18-25-24-17-15-22(24)6/h13,19-25H,8-12,14-18H2,1-7H3/q+1.
What are the key properties of methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium?
methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium has a molecular weight of 365.67 g/mol, XLogP of 6.52, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium is sourced from PubChem (CID 123703483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).