1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine

C13H26N2 — CID 91082347

IUPAC1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine
SMILESC=CCC(CCCNC(C)N)C(C)C=C
InChIInChI=1S/C13H26N2/c1-5-8-13(11(3)6-2)9-7-10-15-12(4)14/h5-6,11-13,15H,1-2,7-10,14H2,3-4H3
InChIKeySUOMOPKKNIBHGE-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.68
Rot. Bonds9

About 1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine

1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine (PubChem CID 91082347) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine
PubChem CID91082347
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine
SMILESC=CCC(CCCNC(C)N)C(C)C=C
InChIInChI=1S/C13H26N2/c1-5-8-13(11(3)6-2)9-7-10-15-12(4)14/h5-6,11-13,15H,1-2,7-10,14H2,3-4H3
InChIKeySUOMOPKKNIBHGE-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine
CID 163821883
2-(2-ethylbut-3-enyl)-N-(3-fluoropropyl)-N'-methylpropane-1,3-diamine
CID 166992031
(3S,4R)-3-ethenyl-2-fluoro-N,4,5-trimethylhexan-1-amine
CID 174091403
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888
N-but-3-enyl-2-methylhex-5-en-1-amine
CID 11367216
N-but-3-enyl-3-methylhex-5-en-1-amine
CID 11480662
Diallylbutylmethylammonium iodide
CID 129824703
2-ethenyl-N-methylhexan-1-amine
CID 13601827
N-ethyl-2-methylhept-6-en-1-amine
CID 17825107
2-methyl-N-propylhex-5-en-1-amine
CID 64664558
N-ethyl-2,3-dimethylhept-6-en-1-amine
CID 81015150
N,2,3-trimethylhex-5-en-1-amine
CID 81015451

Frequently Asked Questions

What is the IUPAC name of 1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine (CID 91082347) is 1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine is C=CCC(CCCNC(C)N)C(C)C=C.
What is the InChIKey of 1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine?
The InChIKey is SUOMOPKKNIBHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-8-13(11(3)6-2)9-7-10-15-12(4)14/h5-6,11-13,15H,1-2,7-10,14H2,3-4H3.
What are the key properties of 1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine?
1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine is sourced from PubChem (CID 91082347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).