N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine

C10H18N2 — CID 123269053

IUPACN,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine
SMILESCNC1C=C(C)CC=CC(C)N1
InChIInChI=1S/C10H18N2/c1-8-5-4-6-9(2)12-10(7-8)11-3/h4,6-7,9-12H,5H2,1-3H3
InChIKeyVVSBIFVQUBJJJY-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.42
Rot. Bonds1

About N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine

N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine (PubChem CID 123269053) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine.

Molecular Properties

Compound NameN,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine
PubChem CID123269053
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine
SMILESCNC1C=C(C)CC=CC(C)N1
InChIInChI=1S/C10H18N2/c1-8-5-4-6-9(2)12-10(7-8)11-3/h4,6-7,9-12H,5H2,1-3H3
InChIKeyVVSBIFVQUBJJJY-UHFFFAOYSA-N
XLogP1.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57065739
(2Z)-3,7-dimethyl-N-[(E)-pent-3-en-2-yl]octa-2,6-dien-1-amine
CID 88928089
N'-[[[(Z)-6,7-dimethyloct-4-en-3-yl]amino]methyl]methanediamine
CID 88939552
N'-[(Z)-hex-2-enyl]-N-methylmethanediamine
CID 121420092
N-[(E)-3-ethyloct-2-enyl]-N'-propan-2-ylmethanediamine
CID 121420130
N-methyl-N'-[(2Z)-4-methylpenta-2,4-dienyl]methanediamine
CID 121420145
N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine
CID 121420147
N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine
CID 123318977
1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine
CID 123832821
2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine
CID 130452255
(5Z)-3,8-dimethyl-2,4,7,8-tetrahydro-1H-1,3-diazocine
CID 132149292
(1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine
CID 137401131

Frequently Asked Questions

What is the IUPAC name of N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine?
The IUPAC name of N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine (CID 123269053) is N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine.
What is the SMILES notation for N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine?
The canonical SMILES for N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine is CNC1C=C(C)CC=CC(C)N1.
What is the InChIKey of N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine?
The InChIKey is VVSBIFVQUBJJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-5-4-6-9(2)12-10(7-8)11-3/h4,6-7,9-12H,5H2,1-3H3.
What are the key properties of N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine?
N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine has a molecular weight of 166.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine is sourced from PubChem (CID 123269053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).