(Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene

C16H32N2 — CID 142806830

IUPAC(Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene
SMILESC/C=C(/CCC/C=N/C(C)CC)NCCC.C=C
InChIInChI=1S/C14H28N2.C2H4/c1-5-11-16-14(7-3)10-8-9-12-15-13(4)6-2;1-2/h7,12-13,16H,5-6,8-11H2,1-4H3;1-2H2/b14-7-,15-12+;
InChIKeyVOHSWRVQMXILQZ-YABIWUOQSA-N
MW252.45 g/mol
LogP4.73
Rot. Bonds9

About (Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene

(Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene (PubChem CID 142806830) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is (Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene.

Molecular Properties

Compound Name(Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene
PubChem CID142806830
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name(Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene
SMILESC/C=C(/CCC/C=N/C(C)CC)NCCC.C=C
InChIInChI=1S/C14H28N2.C2H4/c1-5-11-16-14(7-3)10-8-9-12-15-13(4)6-2;1-2/h7,12-13,16H,5-6,8-11H2,1-4H3;1-2H2/b14-7-,15-12+;
InChIKeyVOHSWRVQMXILQZ-YABIWUOQSA-N
XLogP4.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine
CID 12065549
N-[4-(cyclohexen-1-ylimino)hexan-3-yl]cyclohexanamine
CID 54328538
(E)-N-[3-[(2Z)-1-nonylidene-1-azoniacycloundec-2-en-2-yl]propyl]octadec-9-en-1-amine
CID 59858142
N-butyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine
CID 67812025
1-(Cycloundecen-1-yl)-5-aza-1-azoniacycloundec-11-ene
CID 77159602
1-(Cycloundecen-1-yl)-4-aza-1-azoniacycloundecene
CID 77274238
1-(Cycloundecen-1-yl)-5-aza-1-azoniacycloundecene
CID 77505506
5-(cyclononen-1-yl)-2,3,6,7,8,9-hexahydro-1H-1,5-diazonin-5-ium
CID 77723794
ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 90763652
N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine
CID 91369631
N-propan-2-yl-3-(3H-pyrrol-5-yl)propan-1-amine
CID 117754027
N-propan-2-yl-4-(3H-pyrrol-5-yl)butan-1-amine
CID 117754028

Frequently Asked Questions

What is the IUPAC name of (Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene?
The IUPAC name of (Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene (CID 142806830) is (Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene.
What is the SMILES notation for (Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene?
The canonical SMILES for (Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene is C/C=C(/CCC/C=N/C(C)CC)NCCC.C=C.
What is the InChIKey of (Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene?
The InChIKey is VOHSWRVQMXILQZ-YABIWUOQSA-N. The full InChI is InChI=1S/C14H28N2.C2H4/c1-5-11-16-14(7-3)10-8-9-12-15-13(4)6-2;1-2/h7,12-13,16H,5-6,8-11H2,1-4H3;1-2H2/b14-7-,15-12+;.
What are the key properties of (Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene?
(Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene has a molecular weight of 252.45 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene is sourced from PubChem (CID 142806830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).