ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine

C13H28N2 — CID 143115290

IUPACethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine
SMILESC/C=C\C(=C/C)N(C)CCCNC.CC
InChIInChI=1S/C11H22N2.C2H6/c1-5-8-11(6-2)13(4)10-7-9-12-3;1-2/h5-6,8,12H,7,9-10H2,1-4H3;1-2H3/b8-5-,11-6+;
InChIKeyADWOEGKDRTWSEM-GDRGGGTESA-N
MW212.38 g/mol
LogP3.03
Rot. Bonds6

About ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine

ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 143115290) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Nameethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID143115290
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Nameethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine
SMILESC/C=C\C(=C/C)N(C)CCCNC.CC
InChIInChI=1S/C11H22N2.C2H6/c1-5-8-11(6-2)13(4)10-7-9-12-3;1-2/h5-6,8,12H,7,9-10H2,1-4H3;1-2H3/b8-5-,11-6+;
InChIKeyADWOEGKDRTWSEM-GDRGGGTESA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
N-methyl-N-[3-(methylamino)propyl]propanimidamide
CID 87549397
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
(3E,5Z)-N-butyl-N-methylhepta-1,3,5-trien-4-amine
CID 143005008
(1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine
CID 134406198
methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate
CID 112617466
2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide
CID 103514245
N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide
CID 107176010
N-[5-(methylamino)pentyl]but-2-enamide
CID 91428426
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine (CID 143115290) is ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine is C/C=C\C(=C/C)N(C)CCCNC.CC.
What is the InChIKey of ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is ADWOEGKDRTWSEM-GDRGGGTESA-N. The full InChI is InChI=1S/C11H22N2.C2H6/c1-5-8-11(6-2)13(4)10-7-9-12-3;1-2/h5-6,8,12H,7,9-10H2,1-4H3;1-2H3/b8-5-,11-6+;.
What are the key properties of ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine?
ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 143115290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).