1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine

C15H22N2 — CID 91494024

IUPAC1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine
SMILESCC1=CC(C)=CC2=CN(C)CN(C)C2C(C)=C1
InChIInChI=1S/C15H22N2/c1-11-6-12(2)8-14-9-16(4)10-17(5)15(14)13(3)7-11/h6-9,15H,10H2,1-5H3
InChIKeyHVJVKRWKUXHDCM-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.93
Rot. Bonds

About 1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine

1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine (PubChem CID 91494024) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine.

Molecular Properties

Compound Name1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine
PubChem CID91494024
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine
SMILESCC1=CC(C)=CC2=CN(C)CN(C)C2C(C)=C1
InChIInChI=1S/C15H22N2/c1-11-6-12(2)8-14-9-16(4)10-17(5)15(14)13(3)7-11/h6-9,15H,10H2,1-5H3
InChIKeyHVJVKRWKUXHDCM-UHFFFAOYSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3,5-dimethyl-1-propyl-2H-pyridine
CID 20382385
3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine
CID 129132258
4-Ethyl-1,3,5-trimethyl-2,4-dihydropyrimidine
CID 132005844
1,4-Diethyl-3,5-dimethyl-2,4-dihydropyrimidine
CID 132005855
(2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine
CID 134594210
N,N,4-triethyl-1,5-dimethyl-2H-pyridin-6-amine
CID 149645767
N,N,1,4,5-pentamethyl-2H-pyridin-6-amine
CID 150852892
5-ethyl-N,N,1,3-tetramethyl-2H-pyridin-2-amine
CID 153015445
2-ethyl-1,3,5-trimethyl-2H-pyridine
CID 156421200
3,5,7-Trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene
CID 143125379

Frequently Asked Questions

What is the IUPAC name of 1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine?
The IUPAC name of 1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine (CID 91494024) is 1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine.
What is the SMILES notation for 1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine?
The canonical SMILES for 1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine is CC1=CC(C)=CC2=CN(C)CN(C)C2C(C)=C1.
What is the InChIKey of 1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine?
The InChIKey is HVJVKRWKUXHDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-6-12(2)8-14-9-16(4)10-17(5)15(14)13(3)7-11/h6-9,15H,10H2,1-5H3.
What are the key properties of 1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine?
1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine has a molecular weight of 230.35 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8,10-pentamethyl-2,10a-dihydrocycloocta[d]pyrimidine is sourced from PubChem (CID 91494024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).