(1Z)-2-[amino(methyl)amino]cycloocten-1-amine

C9H19N3 — CID 134360838

IUPAC(1Z)-2-[amino(methyl)amino]cycloocten-1-amine
SMILESCN(N)/C1=C(\N)CCCCCC1
InChIInChI=1S/C9H19N3/c1-12(11)9-7-5-3-2-4-6-8(9)10/h2-7,10-11H2,1H3/b9-8-
InChIKeyDUQJDKNZBDBIHK-HJWRWDBZSA-N
MW169.27 g/mol
LogP1.32
Rot. Bonds1

About (1Z)-2-[amino(methyl)amino]cycloocten-1-amine

(1Z)-2-[amino(methyl)amino]cycloocten-1-amine (PubChem CID 134360838) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (1Z)-2-[amino(methyl)amino]cycloocten-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(methyl)amino]cycloocten-1-amine
PubChem CID134360838
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(1Z)-2-[amino(methyl)amino]cycloocten-1-amine
SMILESCN(N)/C1=C(\N)CCCCCC1
InChIInChI=1S/C9H19N3/c1-12(11)9-7-5-3-2-4-6-8(9)10/h2-7,10-11H2,1H3/b9-8-
InChIKeyDUQJDKNZBDBIHK-HJWRWDBZSA-N
XLogP1.32
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[amino(methyl)amino]cycloocten-1-amine?
The IUPAC name of (1Z)-2-[amino(methyl)amino]cycloocten-1-amine (CID 134360838) is (1Z)-2-[amino(methyl)amino]cycloocten-1-amine.
What is the SMILES notation for (1Z)-2-[amino(methyl)amino]cycloocten-1-amine?
The canonical SMILES for (1Z)-2-[amino(methyl)amino]cycloocten-1-amine is CN(N)/C1=C(\N)CCCCCC1.
What is the InChIKey of (1Z)-2-[amino(methyl)amino]cycloocten-1-amine?
The InChIKey is DUQJDKNZBDBIHK-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H19N3/c1-12(11)9-7-5-3-2-4-6-8(9)10/h2-7,10-11H2,1H3/b9-8-.
What are the key properties of (1Z)-2-[amino(methyl)amino]cycloocten-1-amine?
(1Z)-2-[amino(methyl)amino]cycloocten-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[amino(methyl)amino]cycloocten-1-amine is sourced from PubChem (CID 134360838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).