1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

C17H27N3O — CID 116779494

IUPAC1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCCOC1(c2ncc3c(n2)CCC(CNC)C3)CCCC1
InChIInChI=1S/C17H27N3O/c1-3-21-17(8-4-5-9-17)16-19-12-14-10-13(11-18-2)6-7-15(14)20-16/h12-13,18H,3-11H2,1-2H3
InChIKeyDWONWUKSAXTXDE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.61
Rot. Bonds5

About 1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (PubChem CID 116779494) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
PubChem CID116779494
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCCOC1(c2ncc3c(n2)CCC(CNC)C3)CCCC1
InChIInChI=1S/C17H27N3O/c1-3-21-17(8-4-5-9-17)16-19-12-14-10-13(11-18-2)6-7-15(14)20-16/h12-13,18H,3-11H2,1-2H3
InChIKeyDWONWUKSAXTXDE-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (CID 116779494) is 1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is CCOC1(c2ncc3c(n2)CCC(CNC)C3)CCCC1.
What is the InChIKey of 1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The InChIKey is DWONWUKSAXTXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-21-17(8-4-5-9-17)16-19-12-14-10-13(11-18-2)6-7-15(14)20-16/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine has a molecular weight of 289.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 116779494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).