N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine

C26H49N — CID 123754500

IUPACN-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine
SMILESCCCCCC(CCCC(/N=C/C1CC1CC)C(C)CC(C)C)=C(C)CC
InChIInChI=1S/C26H49N/c1-8-11-12-14-24(21(6)9-2)15-13-16-26(22(7)17-20(4)5)27-19-25-18-23(25)10-3/h19-20,22-23,25-26H,8-18H2,1-7H3/b24-21?,27-19+
InChIKeyNXFZTCLMBFMSFK-YUVKBJJOSA-N
MW375.69 g/mol
LogP8.63
Rot. Bonds15

About N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine

N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine (PubChem CID 123754500) has the molecular formula C26H49N and a molecular weight of 375.69 g/mol. Its IUPAC name is N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine.

Molecular Properties

Compound NameN-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine
PubChem CID123754500
Molecular FormulaC26H49N
Molecular Weight375.69 g/mol
Exact Mass375.39
IUPAC NameN-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine
SMILESCCCCCC(CCCC(/N=C/C1CC1CC)C(C)CC(C)C)=C(C)CC
InChIInChI=1S/C26H49N/c1-8-11-12-14-24(21(6)9-2)15-13-16-26(22(7)17-20(4)5)27-19-25-18-23(25)10-3/h19-20,22-23,25-26H,8-18H2,1-7H3/b24-21?,27-19+
InChIKeyNXFZTCLMBFMSFK-YUVKBJJOSA-N
XLogP8.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.69
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine?
The IUPAC name of N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine (CID 123754500) is N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine.
What is the SMILES notation for N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine?
The canonical SMILES for N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine is CCCCCC(CCCC(/N=C/C1CC1CC)C(C)CC(C)C)=C(C)CC.
What is the InChIKey of N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine?
The InChIKey is NXFZTCLMBFMSFK-YUVKBJJOSA-N. The full InChI is InChI=1S/C26H49N/c1-8-11-12-14-24(21(6)9-2)15-13-16-26(22(7)17-20(4)5)27-19-25-18-23(25)10-3/h19-20,22-23,25-26H,8-18H2,1-7H3/b24-21?,27-19+.
What are the key properties of N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine?
N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine has a molecular weight of 375.69 g/mol, XLogP of 8.63, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine is sourced from PubChem (CID 123754500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).