1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine

C16H32N2 — CID 118539190

IUPAC1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine
SMILESC=CCNC(CCCCCCCCC)NCC=C
InChIInChI=1S/C16H32N2/c1-4-7-8-9-10-11-12-13-16(17-14-5-2)18-15-6-3/h5-6,16-18H,2-4,7-15H2,1H3
InChIKeyAJBURQVTJAPFEF-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.00
Rot. Bonds14

About 1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine

1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine (PubChem CID 118539190) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine
PubChem CID118539190
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine
SMILESC=CCNC(CCCCCCCCC)NCC=C
InChIInChI=1S/C16H32N2/c1-4-7-8-9-10-11-12-13-16(17-14-5-2)18-15-6-3/h5-6,16-18H,2-4,7-15H2,1H3
InChIKeyAJBURQVTJAPFEF-UHFFFAOYSA-N
XLogP4.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.00
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'}

Analyze 1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N-prop-2-enylundecan-6-amine
CID 43755395
2-(prop-2-enylamino)tetradecane-1,1-diol
CID 175295299
1-N,1-N'-diethyldecane-1,1-diamine
CID 141499810
2-N-prop-2-enylheptane-1,2-diamine
CID 65385138
N-prop-2-enylheptan-3-amine
CID 63946261
N-prop-2-enyltridecan-1-amine
CID 22467882
2-pentyl-N-prop-2-enylundecanamide
CID 5180097
1,1-bis(prop-2-enoxy)nonane
CID 123908723
4-prop-2-enylpentadec-1-ene
CID 54427529
17-prop-2-enyltetratriacontane
CID 173452630
N-ethyltridec-1-en-5-amine
CID 104987742
1-N,1-N'-bis(3-aminopropyl)octane-1,1-diamine
CID 57162858

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine (CID 118539190) is 1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine is C=CCNC(CCCCCCCCC)NCC=C.
What is the InChIKey of 1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine?
The InChIKey is AJBURQVTJAPFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-7-8-9-10-11-12-13-16(17-14-5-2)18-15-6-3/h5-6,16-18H,2-4,7-15H2,1H3.
What are the key properties of 1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine?
1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine has a molecular weight of 252.45 g/mol, XLogP of 4.00, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine is sourced from PubChem (CID 118539190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).