N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine

C15H27N — CID 135129817

IUPACN-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine
SMILESC=C(/C=C\N=C\CC)CC(C)CCCCC
InChIInChI=1S/C15H27N/c1-5-7-8-9-14(3)13-15(4)10-12-16-11-6-2/h10-12,14H,4-9,13H2,1-3H3/b12-10-,16-11+
InChIKeyMYVJWOKQZODWNS-NWLDUTIYSA-N
MW221.39 g/mol
LogP5.14
Rot. Bonds9

About N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine

N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine (PubChem CID 135129817) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine.

Molecular Properties

Compound NameN-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine
PubChem CID135129817
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine
SMILESC=C(/C=C\N=C\CC)CC(C)CCCCC
InChIInChI=1S/C15H27N/c1-5-7-8-9-14(3)13-15(4)10-12-16-11-6-2/h10-12,14H,4-9,13H2,1-3H3/b12-10-,16-11+
InChIKeyMYVJWOKQZODWNS-NWLDUTIYSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.14
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 68028727
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(8E,10E)-4-methyl-1-azacycloundeca-1,8,10-triene
CID 70658421
2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine
CID 89064159
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CID 89360358

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine?
The IUPAC name of N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine (CID 135129817) is N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine.
What is the SMILES notation for N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine?
The canonical SMILES for N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine is C=C(/C=C\N=C\CC)CC(C)CCCCC.
What is the InChIKey of N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine?
The InChIKey is MYVJWOKQZODWNS-NWLDUTIYSA-N. The full InChI is InChI=1S/C15H27N/c1-5-7-8-9-14(3)13-15(4)10-12-16-11-6-2/h10-12,14H,4-9,13H2,1-3H3/b12-10-,16-11+.
What are the key properties of N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine?
N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine has a molecular weight of 221.39 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-methyl-3-methylidenedec-1-enyl]propan-1-imine is sourced from PubChem (CID 135129817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).