(E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine

C17H32N2 — CID 126514930

IUPAC(E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine
SMILESCCC/C=C/C(=C(\CC)C1CC1)C(NC)NCCC
InChIInChI=1S/C17H32N2/c1-5-8-9-10-16(15(7-3)14-11-12-14)17(18-4)19-13-6-2/h9-10,14,17-19H,5-8,11-13H2,1-4H3/b10-9+,16-15-
InChIKeyGIUXSHCHMXQSLP-WXJFLGMWSA-N
MW264.46 g/mol
LogP4.00
Rot. Bonds10

About (E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine

(E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine (PubChem CID 126514930) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is (E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine.

Molecular Properties

Compound Name(E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine
PubChem CID126514930
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name(E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine
SMILESCCC/C=C/C(=C(\CC)C1CC1)C(NC)NCCC
InChIInChI=1S/C17H32N2/c1-5-8-9-10-16(15(7-3)14-11-12-14)17(18-4)19-13-6-2/h9-10,14,17-19H,5-8,11-13H2,1-4H3/b10-9+,16-15-
InChIKeyGIUXSHCHMXQSLP-WXJFLGMWSA-N
XLogP4.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,6E)-1-N'-ethyl-1-N',6-dimethyl-2,5-dimethylidene-1-N-prop-2-enyldeca-3,6-diene-1,1-diamine
CID 124142836
(2S)-1-N-[(3E,5Z,9Z)-2-hex-5-en-2-yl-4,8-dimethyldodeca-3,5,9-trienyl]-1-N',1-N',5-N,2-tetramethylpentane-1,1,5-triamine
CID 134270335
N'-butan-2-yl-N'-(cyclopropylmethyl)-N-[(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)methyl]methanediamine
CID 135181922
(2E,4E,6E,8E,10E,12Z,15E)-N-(1-amino-5-methylhepta-2,6-dienyl)-5,10-dimethylheptadeca-2,4,6,8,10,12,15-heptaene-1,17-diamine
CID 142424997
N'-[(3E)-1-cyclohexa-1,5-dien-1-yl-3-ethenylhexa-3,5-dien-2-yl]methanediamine;ethene;2-methylbutane
CID 143507396
1-N'-[(3E,5Z,7Z)-3-cyclopropylnona-3,5,7-trienyl]-1-N'-methylpropane-1,1-diamine
CID 144191079
(2E)-2-[(Z)-1-cyclopropylprop-1-enyl]-N-propylhepta-2,6-dien-1-amine
CID 156097647
(Z)-1-N,3,4,6-tetramethyl-1-N'-[(E)-7-methylnon-3-en-2-yl]hept-3-ene-1,1-diamine
CID 166735088
8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene
CID 166922542

Frequently Asked Questions

What is the IUPAC name of (E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine?
The IUPAC name of (E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine (CID 126514930) is (E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine.
What is the SMILES notation for (E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine?
The canonical SMILES for (E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine is CCC/C=C/C(=C(\CC)C1CC1)C(NC)NCCC.
What is the InChIKey of (E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine?
The InChIKey is GIUXSHCHMXQSLP-WXJFLGMWSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-8-9-10-16(15(7-3)14-11-12-14)17(18-4)19-13-6-2/h9-10,14,17-19H,5-8,11-13H2,1-4H3/b10-9+,16-15-.
What are the key properties of (E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine?
(E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine has a molecular weight of 264.46 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-2-(1-cyclopropylpropylidene)-1-N-methyl-1-N'-propylhept-3-ene-1,1-diamine is sourced from PubChem (CID 126514930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).