N,N'-bis(prop-2-enyl)decane-1,10-diamine

C16H32N2 — CID 118539136

IUPACN,N'-bis(prop-2-enyl)decane-1,10-diamine
SMILESC=CCNCCCCCCCCCCNCC=C
InChIInChI=1S/C16H32N2/c1-3-13-17-15-11-9-7-5-6-8-10-12-16-18-14-4-2/h3-4,17-18H,1-2,5-16H2
InChIKeyXOMHKAUBDXIXDW-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.66
Rot. Bonds15

About N,N'-bis(prop-2-enyl)decane-1,10-diamine

N,N'-bis(prop-2-enyl)decane-1,10-diamine (PubChem CID 118539136) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,N'-bis(prop-2-enyl)decane-1,10-diamine.

Molecular Properties

Compound NameN,N'-bis(prop-2-enyl)decane-1,10-diamine
PubChem CID118539136
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,N'-bis(prop-2-enyl)decane-1,10-diamine
SMILESC=CCNCCCCCCCCCCNCC=C
InChIInChI=1S/C16H32N2/c1-3-13-17-15-11-9-7-5-6-8-10-12-16-18-14-4-2/h3-4,17-18H,1-2,5-16H2
InChIKeyXOMHKAUBDXIXDW-UHFFFAOYSA-N
XLogP3.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(prop-2-enyl)decane-1,10-diamine?
The IUPAC name of N,N'-bis(prop-2-enyl)decane-1,10-diamine (CID 118539136) is N,N'-bis(prop-2-enyl)decane-1,10-diamine.
What is the SMILES notation for N,N'-bis(prop-2-enyl)decane-1,10-diamine?
The canonical SMILES for N,N'-bis(prop-2-enyl)decane-1,10-diamine is C=CCNCCCCCCCCCCNCC=C.
What is the InChIKey of N,N'-bis(prop-2-enyl)decane-1,10-diamine?
The InChIKey is XOMHKAUBDXIXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-13-17-15-11-9-7-5-6-8-10-12-16-18-14-4-2/h3-4,17-18H,1-2,5-16H2.
What are the key properties of N,N'-bis(prop-2-enyl)decane-1,10-diamine?
N,N'-bis(prop-2-enyl)decane-1,10-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.66, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-2-enyl)decane-1,10-diamine is sourced from PubChem (CID 118539136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).