1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine

C14H30N2 — CID 79087731

IUPAC1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine
SMILESC=C(CC)CC(CCN(CC)CC)NCC
InChIInChI=1S/C14H30N2/c1-6-13(5)12-14(15-7-2)10-11-16(8-3)9-4/h14-15H,5-12H2,1-4H3
InChIKeyPYYKRAUQYVTONJ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.05
Rot. Bonds10

About 1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine

1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine (PubChem CID 79087731) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine
PubChem CID79087731
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine
SMILESC=C(CC)CC(CCN(CC)CC)NCC
InChIInChI=1S/C14H30N2/c1-6-13(5)12-14(15-7-2)10-11-16(8-3)9-4/h14-15H,5-12H2,1-4H3
InChIKeyPYYKRAUQYVTONJ-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-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 1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine (CID 79087731) is 1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine is C=C(CC)CC(CCN(CC)CC)NCC.
What is the InChIKey of 1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine?
The InChIKey is PYYKRAUQYVTONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-13(5)12-14(15-7-2)10-11-16(8-3)9-4/h14-15H,5-12H2,1-4H3.
What are the key properties of 1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine?
1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine is sourced from PubChem (CID 79087731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).