1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline

C14H24N2 — CID 175608763

IUPAC1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline
SMILESCCCN1CC2CC=CC=C2N(CCC)C1
InChIInChI=1S/C14H24N2/c1-3-9-15-11-13-7-5-6-8-14(13)16(12-15)10-4-2/h5-6,8,13H,3-4,7,9-12H2,1-2H3
InChIKeyNKNWWZHSFGBLRT-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.84
Rot. Bonds4

About 1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline

1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline (PubChem CID 175608763) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline.

Molecular Properties

Compound Name1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline
PubChem CID175608763
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline
SMILESCCCN1CC2CC=CC=C2N(CCC)C1
InChIInChI=1S/C14H24N2/c1-3-9-15-11-13-7-5-6-8-14(13)16(12-15)10-4-2/h5-6,8,13H,3-4,7,9-12H2,1-2H3
InChIKeyNKNWWZHSFGBLRT-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 70628816
1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one
CID 141003362
1-(2-methylprop-2-enyl)-3,4,4a,5-tetrahydro-2H-quinoline
CID 67901449
2-methyl-1,3,3a,4-tetrahydroisoindole
CID 66962228
5,6-ditert-butyl-1-methyl-3-propyl-1,3-diazepane
CID 59036725
(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
CID 98070007
(1R,5R)-3-propyl-3-azabicyclo[3.1.1]heptan-6-one
CID 98070002
1-acetyl-3a,4-dihydro-3H-indol-2-one
CID 151705115
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
2-bromo-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 150478285
5,6-ditert-butyl-1-propylazepan-2-one
CID 59996889
1-(3-chloropropyl)-3-methyl-3a,4-dihydro-3H-indol-2-one
CID 141426535

Frequently Asked Questions

What is the IUPAC name of 1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline?
The IUPAC name of 1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline (CID 175608763) is 1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline.
What is the SMILES notation for 1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline?
The canonical SMILES for 1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline is CCCN1CC2CC=CC=C2N(CCC)C1.
What is the InChIKey of 1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline?
The InChIKey is NKNWWZHSFGBLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-9-15-11-13-7-5-6-8-14(13)16(12-15)10-4-2/h5-6,8,13H,3-4,7,9-12H2,1-2H3.
What are the key properties of 1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline?
1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline has a molecular weight of 220.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline is sourced from PubChem (CID 175608763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).