2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

C17H27N3 — CID 65414221

IUPAC2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(C3CCC(C)C3)ncc21
InChIInChI=1S/C17H27N3/c1-3-9-18-15-5-4-6-16-14(15)11-19-17(20-16)13-8-7-12(2)10-13/h11-13,15,18H,3-10H2,1-2H3
InChIKeyYVOCBCFNMYFLFQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.76
Rot. Bonds4

About 2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 65414221) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID65414221
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(C3CCC(C)C3)ncc21
InChIInChI=1S/C17H27N3/c1-3-9-18-15-5-4-6-16-14(15)11-19-17(20-16)13-8-7-12(2)10-13/h11-13,15,18H,3-10H2,1-2H3
InChIKeyYVOCBCFNMYFLFQ-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 65414221) is 2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCCNC1CCCc2nc(C3CCC(C)C3)ncc21.
What is the InChIKey of 2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is YVOCBCFNMYFLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-9-18-15-5-4-6-16-14(15)11-19-17(20-16)13-8-7-12(2)10-13/h11-13,15,18H,3-10H2,1-2H3.
What are the key properties of 2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 273.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 65414221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).