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

C17H27N3S — CID 81424957

IUPACN-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
SMILESCC(C)(C)SCc1ncc2c(n1)CCC(CNC1CC1)C2
InChIInChI=1S/C17H27N3S/c1-17(2,3)21-11-16-19-10-13-8-12(4-7-15(13)20-16)9-18-14-5-6-14/h10,12,14,18H,4-9,11H2,1-3H3
InChIKeyQVSPXPKJCDKOQN-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.37
Rot. Bonds5

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

N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine (PubChem CID 81424957) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
PubChem CID81424957
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC NameN-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
SMILESCC(C)(C)SCc1ncc2c(n1)CCC(CNC1CC1)C2
InChIInChI=1S/C17H27N3S/c1-17(2,3)21-11-16-19-10-13-8-12(4-7-15(13)20-16)9-18-14-5-6-14/h10,12,14,18H,4-9,11H2,1-3H3
InChIKeyQVSPXPKJCDKOQN-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
CID 81425997
N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine
CID 81424268
N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine
CID 81424264
N-[[2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine
CID 81424428
N-[[2-(butan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine
CID 81425761
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266
N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine
CID 81425998
N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425282
N-[[2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
CID 81424269
1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine
CID 81425609
2-methoxy-N-[[2-(propylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424448
N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103476669

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine (CID 81424957) is N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine is CC(C)(C)SCc1ncc2c(n1)CCC(CNC1CC1)C2.
What is the InChIKey of N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine?
The InChIKey is QVSPXPKJCDKOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-17(2,3)21-11-16-19-10-13-8-12(4-7-15(13)20-16)9-18-14-5-6-14/h10,12,14,18H,4-9,11H2,1-3H3.
What are the key properties of N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine?
N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine has a molecular weight of 305.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81424957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).