1-N,1-N'-dibutylhex-1-ene-1,1-diamine

C14H30N2 — CID 139931007

IUPAC1-N,1-N'-dibutylhex-1-ene-1,1-diamine
SMILESCCCCC=C(NCCCC)NCCCC
InChIInChI=1S/C14H30N2/c1-4-7-10-11-14(15-12-8-5-2)16-13-9-6-3/h11,15-16H,4-10,12-13H2,1-3H3
InChIKeyWYLNAXNLPQFSBQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.80
Rot. Bonds11

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

1-N,1-N'-dibutylhex-1-ene-1,1-diamine (PubChem CID 139931007) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N,1-N'-dibutylhex-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dibutylhex-1-ene-1,1-diamine
PubChem CID139931007
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N,1-N'-dibutylhex-1-ene-1,1-diamine
SMILESCCCCC=C(NCCCC)NCCCC
InChIInChI=1S/C14H30N2/c1-4-7-10-11-14(15-12-8-5-2)16-13-9-6-3/h11,15-16H,4-10,12-13H2,1-3H3
InChIKeyWYLNAXNLPQFSBQ-UHFFFAOYSA-N
XLogP3.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.80
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 1-N,1-N'-dibutylhex-1-ene-1,1-diamine?
The IUPAC name of 1-N,1-N'-dibutylhex-1-ene-1,1-diamine (CID 139931007) is 1-N,1-N'-dibutylhex-1-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dibutylhex-1-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dibutylhex-1-ene-1,1-diamine is CCCCC=C(NCCCC)NCCCC.
What is the InChIKey of 1-N,1-N'-dibutylhex-1-ene-1,1-diamine?
The InChIKey is WYLNAXNLPQFSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-7-10-11-14(15-12-8-5-2)16-13-9-6-3/h11,15-16H,4-10,12-13H2,1-3H3.
What are the key properties of 1-N,1-N'-dibutylhex-1-ene-1,1-diamine?
1-N,1-N'-dibutylhex-1-ene-1,1-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.80, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dibutylhex-1-ene-1,1-diamine is sourced from PubChem (CID 139931007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).