N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine

C12H24N2 — CID 87865620

IUPACN,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine
SMILESC/C=C/NCCCCCCN/C=C/C
InChIInChI=1S/C12H24N2/c1-3-9-13-11-7-5-6-8-12-14-10-4-2/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3/b9-3+,10-4+
InChIKeyRJPHIULXGHPZLF-LQIBPGRFSA-N
MW196.34 g/mol
LogP2.79
Rot. Bonds9

About N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine

N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine (PubChem CID 87865620) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine
PubChem CID87865620
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine
SMILESC/C=C/NCCCCCCN/C=C/C
InChIInChI=1S/C12H24N2/c1-3-9-13-11-7-5-6-8-12-14-10-4-2/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3/b9-3+,10-4+
InChIKeyRJPHIULXGHPZLF-LQIBPGRFSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine?
The IUPAC name of N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine (CID 87865620) is N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine?
The canonical SMILES for N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine is C/C=C/NCCCCCCN/C=C/C.
What is the InChIKey of N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine?
The InChIKey is RJPHIULXGHPZLF-LQIBPGRFSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-9-13-11-7-5-6-8-12-14-10-4-2/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3/b9-3+,10-4+.
What are the key properties of N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine?
N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-prop-1-enyl]hexane-1,6-diamine is sourced from PubChem (CID 87865620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).