2-amino-1-(diazinan-1-yl)hex-5-en-1-one

C10H19N3O — CID 170619500

IUPAC2-amino-1-(diazinan-1-yl)hex-5-en-1-one
SMILESC=CCCC(N)C(=O)N1CCCCN1
InChIInChI=1S/C10H19N3O/c1-2-3-6-9(11)10(14)13-8-5-4-7-12-13/h2,9,12H,1,3-8,11H2
InChIKeyUSZXQPNMJIATPB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.41
Rot. Bonds4

About 2-amino-1-(diazinan-1-yl)hex-5-en-1-one

2-amino-1-(diazinan-1-yl)hex-5-en-1-one (PubChem CID 170619500) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-1-(diazinan-1-yl)hex-5-en-1-one.

Molecular Properties

Compound Name2-amino-1-(diazinan-1-yl)hex-5-en-1-one
PubChem CID170619500
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-1-(diazinan-1-yl)hex-5-en-1-one
SMILESC=CCCC(N)C(=O)N1CCCCN1
InChIInChI=1S/C10H19N3O/c1-2-3-6-9(11)10(14)13-8-5-4-7-12-13/h2,9,12H,1,3-8,11H2
InChIKeyUSZXQPNMJIATPB-UHFFFAOYSA-N
XLogP0.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2-aminohex-5-enoate;hydrochloride
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diazinan-1-yl(methylarsanyl)methanone
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(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
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2-amino-1-piperazin-1-ylhex-5-yn-1-one
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(2S)-2-amino-1-piperazin-1-ylpentan-1-one
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propan-2-yl diazepane-1-carboxylate
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2,4-diamino-1-piperidin-1-ylbutan-1-one
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2-aminopent-4-enoic acid;cyclohexane
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CID 104581836

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(diazinan-1-yl)hex-5-en-1-one?
The IUPAC name of 2-amino-1-(diazinan-1-yl)hex-5-en-1-one (CID 170619500) is 2-amino-1-(diazinan-1-yl)hex-5-en-1-one.
What is the SMILES notation for 2-amino-1-(diazinan-1-yl)hex-5-en-1-one?
The canonical SMILES for 2-amino-1-(diazinan-1-yl)hex-5-en-1-one is C=CCCC(N)C(=O)N1CCCCN1.
What is the InChIKey of 2-amino-1-(diazinan-1-yl)hex-5-en-1-one?
The InChIKey is USZXQPNMJIATPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-3-6-9(11)10(14)13-8-5-4-7-12-13/h2,9,12H,1,3-8,11H2.
What are the key properties of 2-amino-1-(diazinan-1-yl)hex-5-en-1-one?
2-amino-1-(diazinan-1-yl)hex-5-en-1-one has a molecular weight of 197.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(diazinan-1-yl)hex-5-en-1-one is sourced from PubChem (CID 170619500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).