N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine

C13H26N2 — CID 142886831

IUPACN,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine
SMILESC=C(CCC=C(C)C)N(C)CCN(C)C
InChIInChI=1S/C13H26N2/c1-12(2)8-7-9-13(3)15(6)11-10-14(4)5/h8H,3,7,9-11H2,1-2,4-6H3
InChIKeyDZLPMIXNRKRIRU-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.74
Rot. Bonds7

About N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine (PubChem CID 142886831) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine
PubChem CID142886831
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine
SMILESC=C(CCC=C(C)C)N(C)CCN(C)C
InChIInChI=1S/C13H26N2/c1-12(2)8-7-9-13(3)15(6)11-10-14(4)5/h8H,3,7,9-11H2,1-2,4-6H3
InChIKeyDZLPMIXNRKRIRU-UHFFFAOYSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-methylhepta-1,5-diene
CID 12000295
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
CID 10586730
7-methyl-3-methylideneocta-1,6-diene-1-thione
CID 175121467
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(2R)-7-methyl-3-methylideneoct-6-en-2-ol
CID 10953746
N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 54133454
ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958189
(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
CID 145357021
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine (CID 142886831) is N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine is C=C(CCC=C(C)C)N(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine?
The InChIKey is DZLPMIXNRKRIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2)8-7-9-13(3)15(6)11-10-14(4)5/h8H,3,7,9-11H2,1-2,4-6H3.
What are the key properties of N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 142886831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).