N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

C15H23N3 — CID 81425282

IUPACN-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(CC3CC3)ncc2C1
InChIInChI=1S/C15H23N3/c1-2-16-9-12-5-6-14-13(7-12)10-17-15(18-14)8-11-3-4-11/h10-12,16H,2-9H2,1H3
InChIKeyHOPKFIMTERSLOU-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.14
Rot. Bonds5

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

N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (PubChem CID 81425282) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
PubChem CID81425282
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(CC3CC3)ncc2C1
InChIInChI=1S/C15H23N3/c1-2-16-9-12-5-6-14-13(7-12)10-17-15(18-14)8-11-3-4-11/h10-12,16H,2-9H2,1H3
InChIKeyHOPKFIMTERSLOU-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (CID 81425282) is N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is CCNCC1CCc2nc(CC3CC3)ncc2C1.
What is the InChIKey of N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The InChIKey is HOPKFIMTERSLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-16-9-12-5-6-14-13(7-12)10-17-15(18-14)8-11-3-4-11/h10-12,16H,2-9H2,1H3.
What are the key properties of N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 81425282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).