N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine

C14H19N3 — CID 143956474

IUPACN,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine
SMILESC/C=C/C1=NC(N(C)C)=C2C=CC=CC2N1C
InChIInChI=1S/C14H19N3/c1-5-8-13-15-14(16(2)3)11-9-6-7-10-12(11)17(13)4/h5-10,12H,1-4H3/b8-5+
InChIKeyHGTVCSPUNHWRSI-VMPITWQZSA-N
MW229.33 g/mol
LogP2.17
Rot. Bonds2

About N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine

N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine (PubChem CID 143956474) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine
PubChem CID143956474
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine
SMILESC/C=C/C1=NC(N(C)C)=C2C=CC=CC2N1C
InChIInChI=1S/C14H19N3/c1-5-8-13-15-14(16(2)3)11-9-6-7-10-12(11)17(13)4/h5-10,12H,1-4H3/b8-5+
InChIKeyHGTVCSPUNHWRSI-VMPITWQZSA-N
XLogP2.17
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134852398
8-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863778
7-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863862
7-butyl-4H-pyrido[1,2-a]pyrimidine
CID 20348005
2,3-Dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 54479691
4H-pyrimido[1,2-b]isoquinoline
CID 88813954
1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
CID 123161013
ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
CID 142228891
N,2-diethylisoquinolin-3-imine;ethane
CID 142838375
ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline
CID 142854301
2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine
CID 142943250
2,6-Dimethyl-2,3-dihydroimidazo[1,2-a]pyridine;ethane
CID 143136071

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine?
The IUPAC name of N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine (CID 143956474) is N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine.
What is the SMILES notation for N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine?
The canonical SMILES for N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine is C/C=C/C1=NC(N(C)C)=C2C=CC=CC2N1C.
What is the InChIKey of N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine?
The InChIKey is HGTVCSPUNHWRSI-VMPITWQZSA-N. The full InChI is InChI=1S/C14H19N3/c1-5-8-13-15-14(16(2)3)11-9-6-7-10-12(11)17(13)4/h5-10,12H,1-4H3/b8-5+.
What are the key properties of N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine?
N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine has a molecular weight of 229.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine is sourced from PubChem (CID 143956474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).