ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine

C11H21N — CID 142533318

IUPACethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine
SMILESC=NC(C)/C=C\C(C)=C/C.CC
InChIInChI=1S/C9H15N.C2H6/c1-5-8(2)6-7-9(3)10-4;1-2/h5-7,9H,4H2,1-3H3;1-2H3/b7-6-,8-5-;
InChIKeyYJLZXJGAUITXPE-HIMGSKBMSA-N
MW167.30 g/mol
LogP3.62
Rot. Bonds3

About ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine

ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine (PubChem CID 142533318) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine
PubChem CID142533318
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine
SMILESC=NC(C)/C=C\C(C)=C/C.CC
InChIInChI=1S/C9H15N.C2H6/c1-5-8(2)6-7-9(3)10-4;1-2/h5-7,9H,4H2,1-3H3;1-2H3/b7-6-,8-5-;
InChIKeyYJLZXJGAUITXPE-HIMGSKBMSA-N
XLogP3.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.62
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 ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine?
The IUPAC name of ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine (CID 142533318) is ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine.
What is the SMILES notation for ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine?
The canonical SMILES for ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine is C=NC(C)/C=C\C(C)=C/C.CC.
What is the InChIKey of ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine?
The InChIKey is YJLZXJGAUITXPE-HIMGSKBMSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-5-8(2)6-7-9(3)10-4;1-2/h5-7,9H,4H2,1-3H3;1-2H3/b7-6-,8-5-;.
What are the key properties of ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine?
ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine has a molecular weight of 167.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]methanimine is sourced from PubChem (CID 142533318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).