1-N',1-N'-dihexylprop-1-ene-1,1-diamine

C15H32N2 — CID 173455611

IUPAC1-N',1-N'-dihexylprop-1-ene-1,1-diamine
SMILESCC=C(N)N(CCCCCC)CCCCCC
InChIInChI=1S/C15H32N2/c1-4-7-9-11-13-17(15(16)6-3)14-12-10-8-5-2/h6H,4-5,7-14,16H2,1-3H3
InChIKeyDDJYDPGCTOABEQ-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.27
Rot. Bonds11

About 1-N',1-N'-dihexylprop-1-ene-1,1-diamine

1-N',1-N'-dihexylprop-1-ene-1,1-diamine (PubChem CID 173455611) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-N',1-N'-dihexylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-dihexylprop-1-ene-1,1-diamine
PubChem CID173455611
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-N',1-N'-dihexylprop-1-ene-1,1-diamine
SMILESCC=C(N)N(CCCCCC)CCCCCC
InChIInChI=1S/C15H32N2/c1-4-7-9-11-13-17(15(16)6-3)14-12-10-8-5-2/h6H,4-5,7-14,16H2,1-3H3
InChIKeyDDJYDPGCTOABEQ-UHFFFAOYSA-N
XLogP4.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
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 1-N',1-N'-dihexylprop-1-ene-1,1-diamine?
The IUPAC name of 1-N',1-N'-dihexylprop-1-ene-1,1-diamine (CID 173455611) is 1-N',1-N'-dihexylprop-1-ene-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-dihexylprop-1-ene-1,1-diamine?
The canonical SMILES for 1-N',1-N'-dihexylprop-1-ene-1,1-diamine is CC=C(N)N(CCCCCC)CCCCCC.
What is the InChIKey of 1-N',1-N'-dihexylprop-1-ene-1,1-diamine?
The InChIKey is DDJYDPGCTOABEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-7-9-11-13-17(15(16)6-3)14-12-10-8-5-2/h6H,4-5,7-14,16H2,1-3H3.
What are the key properties of 1-N',1-N'-dihexylprop-1-ene-1,1-diamine?
1-N',1-N'-dihexylprop-1-ene-1,1-diamine has a molecular weight of 240.43 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dihexylprop-1-ene-1,1-diamine is sourced from PubChem (CID 173455611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).