(1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine

C18H28N2 — CID 135303694

IUPAC(1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine
SMILESC=C(C)/C=C(/N(CCC)CCC)N(C)c1ccccc1
InChIInChI=1S/C18H28N2/c1-6-13-20(14-7-2)18(15-16(3)4)19(5)17-11-9-8-10-12-17/h8-12,15H,3,6-7,13-14H2,1-2,4-5H3/b18-15+
InChIKeyVBLWQJCMLCDYQU-OBGWFSINSA-N
MW272.44 g/mol
LogP4.66
Rot. Bonds8

About (1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine

(1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine (PubChem CID 135303694) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine
PubChem CID135303694
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine
SMILESC=C(C)/C=C(/N(CCC)CCC)N(C)c1ccccc1
InChIInChI=1S/C18H28N2/c1-6-13-20(14-7-2)18(15-16(3)4)19(5)17-11-9-8-10-12-17/h8-12,15H,3,6-7,13-14H2,1-2,4-5H3/b18-15+
InChIKeyVBLWQJCMLCDYQU-OBGWFSINSA-N
XLogP4.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.66
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

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N,2-dimethyl-N-phenylprop-2-enamide;tridecane
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(1Z,3Z)-1-N',1-N'-diethyl-1-N-methyl-1-N-phenylpenta-1,3-diene-1,1-diamine
CID 23267396
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CID 166988415
N-methyl-N-[(Z)-1-phenylbut-1-enyl]aniline
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N-hex-2-en-3-yl-N-methylaniline
CID 76766194
N,N-dimethylaniline;N,N-dipropylpropan-1-amine
CID 67813057
2-(N-methylanilino)prop-2-enal
CID 88506227
3-N-methyl-3-N-phenyl-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071669
1-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-phenylhydrazine
CID 163586551

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine?
The IUPAC name of (1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine (CID 135303694) is (1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine?
The canonical SMILES for (1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine is C=C(C)/C=C(/N(CCC)CCC)N(C)c1ccccc1.
What is the InChIKey of (1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine?
The InChIKey is VBLWQJCMLCDYQU-OBGWFSINSA-N. The full InChI is InChI=1S/C18H28N2/c1-6-13-20(14-7-2)18(15-16(3)4)19(5)17-11-9-8-10-12-17/h8-12,15H,3,6-7,13-14H2,1-2,4-5H3/b18-15+.
What are the key properties of (1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine?
(1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine has a molecular weight of 272.44 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine is sourced from PubChem (CID 135303694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).