N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine

C15H27N — CID 123765970

IUPACN-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine
SMILESC=C(/C=C\C(C)CCCC(C)CC)/N=C/C
InChIInChI=1S/C15H27N/c1-6-13(3)9-8-10-14(4)11-12-15(5)16-7-2/h7,11-14H,5-6,8-10H2,1-4H3/b12-11-,16-7+
InChIKeyVUNVLTSBYYFCPC-JWKOCZRXSA-N
MW221.39 g/mol
LogP5.00
Rot. Bonds8

About N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine

N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine (PubChem CID 123765970) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine
PubChem CID123765970
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine
SMILESC=C(/C=C\C(C)CCCC(C)CC)/N=C/C
InChIInChI=1S/C15H27N/c1-6-13(3)9-8-10-14(4)11-12-15(5)16-7-2/h7,11-14H,5-6,8-10H2,1-4H3/b12-11-,16-7+
InChIKeyVUNVLTSBYYFCPC-JWKOCZRXSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine?
The IUPAC name of N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine (CID 123765970) is N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine?
The canonical SMILES for N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine is C=C(/C=C\C(C)CCCC(C)CC)/N=C/C.
What is the InChIKey of N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine?
The InChIKey is VUNVLTSBYYFCPC-JWKOCZRXSA-N. The full InChI is InChI=1S/C15H27N/c1-6-13(3)9-8-10-14(4)11-12-15(5)16-7-2/h7,11-14H,5-6,8-10H2,1-4H3/b12-11-,16-7+.
What are the key properties of N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine?
N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine has a molecular weight of 221.39 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5,9-dimethylundeca-1,3-dien-2-yl]ethanimine is sourced from PubChem (CID 123765970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).