1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine

C13H26N2 — CID 107008079

IUPAC1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine
SMILESC=CCCCCCN(C)C(CN)C1CC1
InChIInChI=1S/C13H26N2/c1-3-4-5-6-7-10-15(2)13(11-14)12-8-9-12/h3,12-13H,1,4-11,14H2,2H3
InChIKeyGQUWDXWTAWPUIL-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.40
Rot. Bonds9

About 1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine

1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine (PubChem CID 107008079) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine
PubChem CID107008079
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine
SMILESC=CCCCCCN(C)C(CN)C1CC1
InChIInChI=1S/C13H26N2/c1-3-4-5-6-7-10-15(2)13(11-14)12-8-9-12/h3,12-13H,1,4-11,14H2,2H3
InChIKeyGQUWDXWTAWPUIL-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-5-ethenyl-4-ethyl-1-methylpiperidin-2-yl]methanamine
CID 89377764
1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine
CID 123540205
3-ethenyl-1-N-ethyl-2-N-methylcyclopropane-1,2-diamine
CID 123873802
4,7-Dimethyl-4-azaspiro[2.5]oct-5-en-8-amine
CID 126583036
(8R)-4,7-dimethyl-4-azaspiro[2.5]oct-5-en-8-amine
CID 126583039
(8S)-4,7-dimethyl-4-azaspiro[2.5]oct-5-en-8-amine
CID 126583085
N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine
CID 126691381
1-N-(2-methylhexyl)but-3-ene-1,2-diamine
CID 132184092
(2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine
CID 134485862
2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine
CID 138507133
(2S)-4-methyl-2-N-(2-methylpropyl)hex-5-ene-2,3-diamine
CID 141785089
ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine
CID 142113010

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine (CID 107008079) is 1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine is C=CCCCCCN(C)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine?
The InChIKey is GQUWDXWTAWPUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-4-5-6-7-10-15(2)13(11-14)12-8-9-12/h3,12-13H,1,4-11,14H2,2H3.
What are the key properties of 1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine?
1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 107008079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).