3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine

C12H21N3 — CID 123654693

IUPAC3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine
SMILESCC1=C2CNCN=C2C(CCCN)CC1
InChIInChI=1S/C12H21N3/c1-9-4-5-10(3-2-6-13)12-11(9)7-14-8-15-12/h10,14H,2-8,13H2,1H3
InChIKeyUJMOAVDXXCQAJB-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.45
Rot. Bonds3

About 3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine

3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine (PubChem CID 123654693) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine
PubChem CID123654693
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine
SMILESCC1=C2CNCN=C2C(CCCN)CC1
InChIInChI=1S/C12H21N3/c1-9-4-5-10(3-2-6-13)12-11(9)7-14-8-15-12/h10,14H,2-8,13H2,1H3
InChIKeyUJMOAVDXXCQAJB-UHFFFAOYSA-N
XLogP1.45
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine with MolForge

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Related Compounds

2,3,4,4a,5,6,6a,9-Octahydrobenzo[h]quinazoline
CID 123874491
(5R)-5-methyl-1,2,5,6,7,8-hexahydroquinazoline
CID 146206467
4-(aminomethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83847325
4-(2-aminoethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83848480
6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83848487
4-(3-aminopropyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83849716
5-(2-aminoethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83861973
4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83861975
5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83861976
4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one
CID 83861993
5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83862004
5-(aminomethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83862006

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine?
The IUPAC name of 3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine (CID 123654693) is 3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine is CC1=C2CNCN=C2C(CCCN)CC1.
What is the InChIKey of 3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine?
The InChIKey is UJMOAVDXXCQAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-4-5-10(3-2-6-13)12-11(9)7-14-8-15-12/h10,14H,2-8,13H2,1H3.
What are the key properties of 3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine?
3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2,3,4,6,7,8-hexahydroquinazolin-8-yl)propan-1-amine is sourced from PubChem (CID 123654693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).