N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine

C15H29N — CID 123762729

IUPACN-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine
SMILESC/C=N/C=C\C(C(C)CC)C(C)CCCC
InChIInChI=1S/C15H29N/c1-6-9-10-14(5)15(13(4)7-2)11-12-16-8-3/h8,11-15H,6-7,9-10H2,1-5H3/b12-11-,16-8+
InChIKeyNAYZPFCCBAKDQS-JCQHQYFWSA-N
MW223.40 g/mol
LogP5.08
Rot. Bonds8

About N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine

N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine (PubChem CID 123762729) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine
PubChem CID123762729
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine
SMILESC/C=N/C=C\C(C(C)CC)C(C)CCCC
InChIInChI=1S/C15H29N/c1-6-9-10-14(5)15(13(4)7-2)11-12-16-8-3/h8,11-15H,6-7,9-10H2,1-5H3/b12-11-,16-8+
InChIKeyNAYZPFCCBAKDQS-JCQHQYFWSA-N
XLogP5.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine (CID 123762729) is N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine is C/C=N/C=C\C(C(C)CC)C(C)CCCC.
What is the InChIKey of N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine?
The InChIKey is NAYZPFCCBAKDQS-JCQHQYFWSA-N. The full InChI is InChI=1S/C15H29N/c1-6-9-10-14(5)15(13(4)7-2)11-12-16-8-3/h8,11-15H,6-7,9-10H2,1-5H3/b12-11-,16-8+.
What are the key properties of N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine?
N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine has a molecular weight of 223.40 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine is sourced from PubChem (CID 123762729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).