ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine

C16H27N3 — CID 169215702

IUPACethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine
SMILESCC.CC(C)CC(/C=C(\N)CN)=N\c1ccccc1
InChIInChI=1S/C14H21N3.C2H6/c1-11(2)8-14(9-12(16)10-15)17-13-6-4-3-5-7-13;1-2/h3-7,9,11H,8,10,15-16H2,1-2H3;1-2H3/b12-9-,17-14+;
InChIKeyAQXHMYMSOMRMBS-PLZCLYOESA-N
MW261.41 g/mol
LogP3.63
Rot. Bonds5

About ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine

ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine (PubChem CID 169215702) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine.

Molecular Properties

Compound Nameethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine
PubChem CID169215702
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Nameethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine
SMILESCC.CC(C)CC(/C=C(\N)CN)=N\c1ccccc1
InChIInChI=1S/C14H21N3.C2H6/c1-11(2)8-14(9-12(16)10-15)17-13-6-4-3-5-7-13;1-2/h3-7,9,11H,8,10,15-16H2,1-2H3;1-2H3/b12-9-,17-14+;
InChIKeyAQXHMYMSOMRMBS-PLZCLYOESA-N
XLogP3.63
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine
CID 145427555
1,1-dichloro-4-methyl-N-phenylpentan-2-imine
CID 15621082
3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide
CID 159784015
(Z)-5-methyl-4-phenyliminohex-2-en-2-amine
CID 177051041
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
deuteriomethane;ethane;2-phenylguanidine
CID 91130505
ethanol;2-phenylguanidine
CID 172840613
2-phenyl-2-phenyliminoethanamine
CID 118895747
bis(2-phenylguanidine);dihydrochloride
CID 160984545
N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide
CID 69433881
4-[[(Z)-3-amino-6-methyl-1-phenylhept-2-enylidene]amino]benzoic acid
CID 177190557
N'-(4-chlorophenyl)-3-methylbutanimidamide
CID 22285644

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine?
The IUPAC name of ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine (CID 169215702) is ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine.
What is the SMILES notation for ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine?
The canonical SMILES for ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine is CC.CC(C)CC(/C=C(\N)CN)=N\c1ccccc1.
What is the InChIKey of ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine?
The InChIKey is AQXHMYMSOMRMBS-PLZCLYOESA-N. The full InChI is InChI=1S/C14H21N3.C2H6/c1-11(2)8-14(9-12(16)10-15)17-13-6-4-3-5-7-13;1-2/h3-7,9,11H,8,10,15-16H2,1-2H3;1-2H3/b12-9-,17-14+;.
What are the key properties of ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine?
ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine is sourced from PubChem (CID 169215702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).