ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine

C14H32N2 — CID 142113010

IUPACethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine
SMILESC=CC(C)CCCCN(CC)CCN.CC
InChIInChI=1S/C12H26N2.C2H6/c1-4-12(3)8-6-7-10-14(5-2)11-9-13;1-2/h4,12H,1,5-11,13H2,2-3H3;1-2H3
InChIKeyWBWTZJIBTQPSBS-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.29
Rot. Bonds9

About ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine

ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine (PubChem CID 142113010) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine
PubChem CID142113010
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nameethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine
SMILESC=CC(C)CCCCN(CC)CCN.CC
InChIInChI=1S/C12H26N2.C2H6/c1-4-12(3)8-6-7-10-14(5-2)11-9-13;1-2/h4,12H,1,5-11,13H2,2-3H3;1-2H3
InChIKeyWBWTZJIBTQPSBS-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.29
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'}

Analyze ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine?
The IUPAC name of ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine (CID 142113010) is ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine.
What is the SMILES notation for ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine?
The canonical SMILES for ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine is C=CC(C)CCCCN(CC)CCN.CC.
What is the InChIKey of ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine?
The InChIKey is WBWTZJIBTQPSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.C2H6/c1-4-12(3)8-6-7-10-14(5-2)11-9-13;1-2/h4,12H,1,5-11,13H2,2-3H3;1-2H3.
What are the key properties of ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine?
ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethyl-N'-(5-methylhept-6-enyl)ethane-1,2-diamine is sourced from PubChem (CID 142113010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).