N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine

C15H23N3O — CID 81425997

IUPACN-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
SMILESCOCCc1ncc2c(n1)CCC(CNC1CC1)C2
InChIInChI=1S/C15H23N3O/c1-19-7-6-15-17-10-12-8-11(2-5-14(12)18-15)9-16-13-3-4-13/h10-11,13,16H,2-9H2,1H3
InChIKeyCJNWOYQOKFFCIG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.52
Rot. Bonds6

About N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine

N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine (PubChem CID 81425997) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
PubChem CID81425997
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
SMILESCOCCc1ncc2c(n1)CCC(CNC1CC1)C2
InChIInChI=1S/C15H23N3O/c1-19-7-6-15-17-10-12-8-11(2-5-14(12)18-15)9-16-13-3-4-13/h10-11,13,16H,2-9H2,1H3
InChIKeyCJNWOYQOKFFCIG-UHFFFAOYSA-N
XLogP1.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine (CID 81425997) is N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine is COCCc1ncc2c(n1)CCC(CNC1CC1)C2.
What is the InChIKey of N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine?
The InChIKey is CJNWOYQOKFFCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-7-6-15-17-10-12-8-11(2-5-14(12)18-15)9-16-13-3-4-13/h10-11,13,16H,2-9H2,1H3.
What are the key properties of N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine?
N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81425997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).