(Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine

C16H31N — CID 123488300

IUPAC(Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine
SMILESCCC(CC)/C(C)=C(C)\C(=N\C)C(CC)CC
InChIInChI=1S/C16H31N/c1-8-14(9-2)12(5)13(6)16(17-7)15(10-3)11-4/h14-15H,8-11H2,1-7H3/b13-12-,17-16-
InChIKeySAMSEVWUIWTTRW-NQJJCMTOSA-N
MW237.43 g/mol
LogP5.27
Rot. Bonds7

About (Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine

(Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine (PubChem CID 123488300) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine.

Molecular Properties

Compound Name(Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine
PubChem CID123488300
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine
SMILESCCC(CC)/C(C)=C(C)\C(=N\C)C(CC)CC
InChIInChI=1S/C16H31N/c1-8-14(9-2)12(5)13(6)16(17-7)15(10-3)11-4/h14-15H,8-11H2,1-7H3/b13-12-,17-16-
InChIKeySAMSEVWUIWTTRW-NQJJCMTOSA-N
XLogP5.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
CID 144510980
(2E)-2-(3,3-difluorobutan-2-ylidene)-N,5-dimethylcyclopentan-1-imine
CID 177146657
2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine
CID 20647016
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
(Z)-N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine
CID 58299412
4,5,6-Tri(propan-2-yl)-2,3-dihydropyridine
CID 58365477
N,3,3,4,4,5,6-heptamethylhept-5-en-2-imine
CID 59366448
N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine
CID 59366455
N,4-dimethyl-3-propan-2-ylpent-3-en-2-imine
CID 88869346
N,4,5-trimethylhept-4-en-3-imine
CID 91220474
5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole
CID 118344870
3,5-diethyl-4-propan-2-yl-2H-pyrrole
CID 118344871

Frequently Asked Questions

What is the IUPAC name of (Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine?
The IUPAC name of (Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine (CID 123488300) is (Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine.
What is the SMILES notation for (Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine?
The canonical SMILES for (Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine is CCC(CC)/C(C)=C(C)\C(=N\C)C(CC)CC.
What is the InChIKey of (Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine?
The InChIKey is SAMSEVWUIWTTRW-NQJJCMTOSA-N. The full InChI is InChI=1S/C16H31N/c1-8-14(9-2)12(5)13(6)16(17-7)15(10-3)11-4/h14-15H,8-11H2,1-7H3/b13-12-,17-16-.
What are the key properties of (Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine?
(Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine has a molecular weight of 237.43 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,7-diethyl-N,5,6-trimethylnon-5-en-4-imine is sourced from PubChem (CID 123488300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).