N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane

C18H31N3 — CID 170572365

IUPACN-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane
SMILESC=C(C)/C=C1/N=CC2=C(C=CCC2)N1C.CCC.CNC
InChIInChI=1S/C13H16N2.C3H8.C2H7N/c1-10(2)8-13-14-9-11-6-4-5-7-12(11)15(13)3;2*1-3-2/h5,7-9H,1,4,6H2,2-3H3;3H2,1-2H3;3H,1-2H3/b13-8-;;
InChIKeyYBAAOGQBOUYQEU-KEZMYAPCSA-N
MW289.47 g/mol
LogP4.28
Rot. Bonds1

About N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane

N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane (PubChem CID 170572365) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane.

Molecular Properties

Compound NameN-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane
PubChem CID170572365
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane
SMILESC=C(C)/C=C1/N=CC2=C(C=CCC2)N1C.CCC.CNC
InChIInChI=1S/C13H16N2.C3H8.C2H7N/c1-10(2)8-13-14-9-11-6-4-5-7-12(11)15(13)3;2*1-3-2/h5,7-9H,1,4,6H2,2-3H3;3H2,1-2H3;3H,1-2H3/b13-8-;;
InChIKeyYBAAOGQBOUYQEU-KEZMYAPCSA-N
XLogP4.28
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane?
The IUPAC name of N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane (CID 170572365) is N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane.
What is the SMILES notation for N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane?
The canonical SMILES for N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane is C=C(C)/C=C1/N=CC2=C(C=CCC2)N1C.CCC.CNC.
What is the InChIKey of N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane?
The InChIKey is YBAAOGQBOUYQEU-KEZMYAPCSA-N. The full InChI is InChI=1S/C13H16N2.C3H8.C2H7N/c1-10(2)8-13-14-9-11-6-4-5-7-12(11)15(13)3;2*1-3-2/h5,7-9H,1,4,6H2,2-3H3;3H2,1-2H3;3H,1-2H3/b13-8-;;.
What are the key properties of N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane?
N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane has a molecular weight of 289.47 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane is sourced from PubChem (CID 170572365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).