4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine

C12H21N3 — CID 123838377

IUPAC4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine
SMILESCCCC1CC=CC2N=C(N)NC(C)C12
InChIInChI=1S/C12H21N3/c1-3-5-9-6-4-7-10-11(9)8(2)14-12(13)15-10/h4,7-11H,3,5-6H2,1-2H3,(H3,13,14,15)
InChIKeyMAENJSSRLGZFBG-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.65
Rot. Bonds2

About 4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine

4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine (PubChem CID 123838377) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine
PubChem CID123838377
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine
SMILESCCCC1CC=CC2N=C(N)NC(C)C12
InChIInChI=1S/C12H21N3/c1-3-5-9-6-4-7-10-11(9)8(2)14-12(13)15-10/h4,7-11H,3,5-6H2,1-2H3,(H3,13,14,15)
InChIKeyMAENJSSRLGZFBG-UHFFFAOYSA-N
XLogP1.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-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

3a,9,9a,9b-tetrahydro-1H-perimidin-2-amine
CID 89636855
Ethane;6-[(3-ethylcyclohex-2-en-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
CID 142171926
(5R,6R)-6-[(2Z,4E)-5-aminopenta-2,4-dienyl]-5-[(2S)-butan-2-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 160132932
(8aS)-5-methyl-1,4,4a,5,8,8a-hexahydroquinazolin-2-amine
CID 166943838
1,4,4a,5,8,8a-Hexahydroquinazolin-3-ium
CID 173071818
1,4,4a,5,8,8a-Hexahydroquinazoline
CID 173071819
N'-[cyclohex-3-en-1-yl-(cyclohex-2-en-1-ylamino)methyl]carbamimidoyl bromide
CID 173866467
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
1-Cyclopent-3-en-1-yl-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 109769094
1-Cyclopent-3-en-1-yl-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
CID 109769095
1-Cyclopent-3-en-1-yl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine
CID 109769815
1-Cyclopent-3-en-1-yl-3-ethyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 109770515

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine?
The IUPAC name of 4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine (CID 123838377) is 4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine.
What is the SMILES notation for 4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine?
The canonical SMILES for 4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine is CCCC1CC=CC2N=C(N)NC(C)C12.
What is the InChIKey of 4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine?
The InChIKey is MAENJSSRLGZFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-5-9-6-4-7-10-11(9)8(2)14-12(13)15-10/h4,7-11H,3,5-6H2,1-2H3,(H3,13,14,15).
What are the key properties of 4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine?
4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine is sourced from PubChem (CID 123838377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).