2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine

C15H30N2 — CID 166996503

IUPAC2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
SMILESCC(C)C1CCC2CCN(C(C)(C)C)CN2C1
InChIInChI=1S/C15H30N2/c1-12(2)13-6-7-14-8-9-17(15(3,4)5)11-16(14)10-13/h12-14H,6-11H2,1-5H3
InChIKeyUELDYFZHDQRBKE-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.18
Rot. Bonds1

About 2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine

2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine (PubChem CID 166996503) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
PubChem CID166996503
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
SMILESCC(C)C1CCC2CCN(C(C)(C)C)CN2C1
InChIInChI=1S/C15H30N2/c1-12(2)13-6-7-14-8-9-17(15(3,4)5)11-16(14)10-13/h12-14H,6-11H2,1-5H3
InChIKeyUELDYFZHDQRBKE-UHFFFAOYSA-N
XLogP3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
4-fluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58386347
7-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
CID 170106719
2-tert-butyl-5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 174199616
1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
CID 58364985
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176797082
4-(4-propan-2-ylcyclohexyl)morpholin-1-ium
CID 147375805
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]piperidine
CID 148627531
2-tert-butyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 154651567
4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine
CID 71055637

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
The IUPAC name of 2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine (CID 166996503) is 2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine is CC(C)C1CCC2CCN(C(C)(C)C)CN2C1.
What is the InChIKey of 2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
The InChIKey is UELDYFZHDQRBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)13-6-7-14-8-9-17(15(3,4)5)11-16(14)10-13/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine has a molecular weight of 238.42 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine is sourced from PubChem (CID 166996503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).