(1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine

C16H24N2 — CID 23267396

IUPAC(1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine
SMILESC/C=C\C=C(\N(CC)CC)N(C)c1ccccc1
InChIInChI=1S/C16H24N2/c1-5-8-14-16(18(6-2)7-3)17(4)15-12-10-9-11-13-15/h5,8-14H,6-7H2,1-4H3/b8-5-,16-14+
InChIKeyNDNRERBCWXTZFM-XBHCWAOGSA-N
MW244.38 g/mol
LogP3.88
Rot. Bonds6

About (1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine

(1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine (PubChem CID 23267396) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine
PubChem CID23267396
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine
SMILESC/C=C\C=C(\N(CC)CC)N(C)c1ccccc1
InChIInChI=1S/C16H24N2/c1-5-8-14-16(18(6-2)7-3)17(4)15-12-10-9-11-13-15/h5,8-14H,6-7H2,1-4H3/b8-5-,16-14+
InChIKeyNDNRERBCWXTZFM-XBHCWAOGSA-N
XLogP3.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine
CID 135303694
N-hex-2-en-3-yl-N-methylaniline
CID 76766194
N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline
CID 15966558
ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane
CID 144687223
formic acid;methyl(phenyl)carbamic acid
CID 161284118
N-methyl-N-[(Z)-1-phenylbut-1-enyl]aniline
CID 24975986
ethane;N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenylhydroxylamine
CID 144754193
1-methyl-1-phenyl-3,3-dipropylurea
CID 20524964
N-methyl-N-[(Z)-4-methylpent-2-en-3-yl]aniline
CID 135253845
ethane;3-fluoro-N-[(3E,5Z)-hepta-3,5-dien-3-yl]-N-phenylaniline
CID 145203867
(3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol
CID 142896900
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine?
The IUPAC name of (1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine (CID 23267396) is (1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine?
The canonical SMILES for (1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine is C/C=C\C=C(\N(CC)CC)N(C)c1ccccc1.
What is the InChIKey of (1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine?
The InChIKey is NDNRERBCWXTZFM-XBHCWAOGSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-8-14-16(18(6-2)7-3)17(4)15-12-10-9-11-13-15/h5,8-14H,6-7H2,1-4H3/b8-5-,16-14+.
What are the key properties of (1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine?
(1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine has a molecular weight of 244.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine is sourced from PubChem (CID 23267396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).