7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane

C14H27N — CID 170274306

IUPAC7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane
SMILESCC(C)N1CCC2(C(C)C)C(C1)C2(C)C
InChIInChI=1S/C14H27N/c1-10(2)14-7-8-15(11(3)4)9-12(14)13(14,5)6/h10-12H,7-9H2,1-6H3
InChIKeySUBUFFSUOGUCBK-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.40
Rot. Bonds2

About 7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane

7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane (PubChem CID 170274306) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane
PubChem CID170274306
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane
SMILESCC(C)N1CCC2(C(C)C)C(C1)C2(C)C
InChIInChI=1S/C14H27N/c1-10(2)14-7-8-15(11(3)4)9-12(14)13(14,5)6/h10-12H,7-9H2,1-6H3
InChIKeySUBUFFSUOGUCBK-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 127000189
4,4-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 117025067
3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206
(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218
3,4,4,5-tetramethyl-1-propan-2-ylpiperidine
CID 121288182
1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine
CID 117025884
1,4-di(propan-2-yl)piperidin-4-amine
CID 167417701
1-propan-2-yl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-amine
CID 79352090
(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
CID 157157728
4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 158071698
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane (CID 170274306) is 7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane is CC(C)N1CCC2(C(C)C)C(C1)C2(C)C.
What is the InChIKey of 7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane?
The InChIKey is SUBUFFSUOGUCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10(2)14-7-8-15(11(3)4)9-12(14)13(14,5)6/h10-12H,7-9H2,1-6H3.
What are the key properties of 7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane?
7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane has a molecular weight of 209.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 170274306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).