N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine

C11H20N2 — CID 123662048

IUPACN,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine
SMILESC=CC=C(C)C(=C)N(C)CCNC
InChIInChI=1S/C11H20N2/c1-6-7-10(2)11(3)13(5)9-8-12-4/h6-7,12H,1,3,8-9H2,2,4-5H3
InChIKeyHRJFMPUEJBCWTN-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.78
Rot. Bonds6

About N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine (PubChem CID 123662048) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine
PubChem CID123662048
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine
SMILESC=CC=C(C)C(=C)N(C)CCNC
InChIInChI=1S/C11H20N2/c1-6-7-10(2)11(3)13(5)9-8-12-4/h6-7,12H,1,3,8-9H2,2,4-5H3
InChIKeyHRJFMPUEJBCWTN-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-N'-[4-methyl-3-(3-methyl-2-methylidene-1-pyridinyl)penta-1,3-dien-2-yl]ethane-1,2-diamine
CID 134189006
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 143191827
(2E,4E)-3-ethenyl-1-N-[(E)-2-ethylpent-2-enyl]-4-fluorohexa-2,4-diene-1,2-diamine
CID 143686557
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846292
1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]piperazine
CID 144105563
N,N'-dimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 145278555
N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine
CID 171513401
N'-[(2E,4Z)-6-fluoro-5-methylhexa-2,4-dien-3-yl]ethane-1,2-diamine
CID 174289613
N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine
CID 142240043
N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine
CID 143043423
1-[3-(dimethylamino)propyl]-N-ethyl-2H-pyridin-3-amine
CID 23004048
2-methyl-N-[(3E)-penta-1,3-dien-2-yl]pent-1-en-3-amine
CID 57525952

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine (CID 123662048) is N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine is C=CC=C(C)C(=C)N(C)CCNC.
What is the InChIKey of N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine?
The InChIKey is HRJFMPUEJBCWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-7-10(2)11(3)13(5)9-8-12-4/h6-7,12H,1,3,8-9H2,2,4-5H3.
What are the key properties of N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(3-methylhexa-1,3,5-trien-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 123662048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).