6-iminohex-3-en-2-amine

C6H12N2 — CID 138659587

IUPAC6-iminohex-3-en-2-amine
SMILES[H]/N=C/CC=CC(C)N
InChIInChI=1S/C6H12N2/c1-6(8)4-2-3-5-7/h2,4-7H,3,8H2,1H3/b4-2?,7-5+
InChIKeyPRFQYOSMIYHKOM-LWIMGRHQSA-N
MW112.18 g/mol
LogP0.93
Rot. Bonds3

About 6-iminohex-3-en-2-amine

6-iminohex-3-en-2-amine (PubChem CID 138659587) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 6-iminohex-3-en-2-amine.

Molecular Properties

Compound Name6-iminohex-3-en-2-amine
PubChem CID138659587
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name6-iminohex-3-en-2-amine
SMILES[H]/N=C/CC=CC(C)N
InChIInChI=1S/C6H12N2/c1-6(8)4-2-3-5-7/h2,4-7H,3,8H2,1H3/b4-2?,7-5+
InChIKeyPRFQYOSMIYHKOM-LWIMGRHQSA-N
XLogP0.93
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iminohex-3-en-2-amine?
The IUPAC name of 6-iminohex-3-en-2-amine (CID 138659587) is 6-iminohex-3-en-2-amine.
What is the SMILES notation for 6-iminohex-3-en-2-amine?
The canonical SMILES for 6-iminohex-3-en-2-amine is [H]/N=C/CC=CC(C)N.
What is the InChIKey of 6-iminohex-3-en-2-amine?
The InChIKey is PRFQYOSMIYHKOM-LWIMGRHQSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(8)4-2-3-5-7/h2,4-7H,3,8H2,1H3/b4-2?,7-5+.
What are the key properties of 6-iminohex-3-en-2-amine?
6-iminohex-3-en-2-amine has a molecular weight of 112.18 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iminohex-3-en-2-amine is sourced from PubChem (CID 138659587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).