(7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine

C9H14N2 — CID 123352256

IUPAC(7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine
SMILESCC1=CCC(N)N=C/C=C\C1
InChIInChI=1S/C9H14N2/c1-8-4-2-3-7-11-9(10)6-5-8/h2-3,5,7,9H,4,6,10H2,1H3/b3-2-,8-5?,11-7?
InChIKeyFYGSJACUZNNEKQ-IBQRCDPWSA-N
MW150.22 g/mol
LogP1.64
Rot. Bonds

About (7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine

(7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine (PubChem CID 123352256) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine.

Molecular Properties

Compound Name(7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine
PubChem CID123352256
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine
SMILESCC1=CCC(N)N=C/C=C\C1
InChIInChI=1S/C9H14N2/c1-8-4-2-3-7-11-9(10)6-5-8/h2-3,5,7,9H,4,6,10H2,1H3/b3-2-,8-5?,11-7?
InChIKeyFYGSJACUZNNEKQ-IBQRCDPWSA-N
XLogP1.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine?
The IUPAC name of (7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine (CID 123352256) is (7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine.
What is the SMILES notation for (7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine?
The canonical SMILES for (7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine is CC1=CCC(N)N=C/C=C\C1.
What is the InChIKey of (7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine?
The InChIKey is FYGSJACUZNNEKQ-IBQRCDPWSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-4-2-3-7-11-9(10)6-5-8/h2-3,5,7,9H,4,6,10H2,1H3/b3-2-,8-5?,11-7?.
What are the key properties of (7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine?
(7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine is sourced from PubChem (CID 123352256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).