(2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine

C11H21N3 — CID 134406702

IUPAC(2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine
SMILESC/C(N)=C/C=C/CN1CCCNCC1
InChIInChI=1S/C11H21N3/c1-11(12)5-2-3-8-14-9-4-6-13-7-10-14/h2-3,5,13H,4,6-10,12H2,1H3/b3-2+,11-5-
InChIKeyDCNDJPHHQXGIDB-OIUYUKGDSA-N
MW195.31 g/mol
LogP0.70
Rot. Bonds3

About (2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine

(2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine (PubChem CID 134406702) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine
PubChem CID134406702
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine
SMILESC/C(N)=C/C=C/CN1CCCNCC1
InChIInChI=1S/C11H21N3/c1-11(12)5-2-3-8-14-9-4-6-13-7-10-14/h2-3,5,13H,4,6-10,12H2,1H3/b3-2+,11-5-
InChIKeyDCNDJPHHQXGIDB-OIUYUKGDSA-N
XLogP0.70
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine (CID 134406702) is (2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine is C/C(N)=C/C=C/CN1CCCNCC1.
What is the InChIKey of (2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine?
The InChIKey is DCNDJPHHQXGIDB-OIUYUKGDSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(12)5-2-3-8-14-9-4-6-13-7-10-14/h2-3,5,13H,4,6-10,12H2,1H3/b3-2+,11-5-.
What are the key properties of (2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine?
(2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine has a molecular weight of 195.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine is sourced from PubChem (CID 134406702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).