(3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine

C10H18N2 — CID 88957256

IUPAC(3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine
SMILESCC1/C=C\C(N)NC/C=C\CC1
InChIInChI=1S/C10H18N2/c1-9-5-3-2-4-8-12-10(11)7-6-9/h2,4,6-7,9-10,12H,3,5,8,11H2,1H3/b4-2-,7-6-
InChIKeyURPXVOGQLASYRU-YEKSRDOCSA-N
MW166.27 g/mol
LogP1.40
Rot. Bonds

About (3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine

(3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine (PubChem CID 88957256) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine.

Molecular Properties

Compound Name(3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine
PubChem CID88957256
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine
SMILESCC1/C=C\C(N)NC/C=C\CC1
InChIInChI=1S/C10H18N2/c1-9-5-3-2-4-8-12-10(11)7-6-9/h2,4,6-7,9-10,12H,3,5,8,11H2,1H3/b4-2-,7-6-
InChIKeyURPXVOGQLASYRU-YEKSRDOCSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
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 (3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine?
The IUPAC name of (3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine (CID 88957256) is (3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine.
What is the SMILES notation for (3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine?
The canonical SMILES for (3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine is CC1/C=C\C(N)NC/C=C\CC1.
What is the InChIKey of (3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine?
The InChIKey is URPXVOGQLASYRU-YEKSRDOCSA-N. The full InChI is InChI=1S/C10H18N2/c1-9-5-3-2-4-8-12-10(11)7-6-9/h2,4,6-7,9-10,12H,3,5,8,11H2,1H3/b4-2-,7-6-.
What are the key properties of (3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine?
(3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine has a molecular weight of 166.27 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8Z)-5-methyl-1,2,5,6,7,10-hexahydroazecin-2-amine is sourced from PubChem (CID 88957256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).