7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane

C10H17Cl2N — CID 127000189

IUPAC7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)N1CCC2(C)C(C1)C2(Cl)Cl
InChIInChI=1S/C10H17Cl2N/c1-7(2)13-5-4-9(3)8(6-13)10(9,11)12/h7-8H,4-6H2,1-3H3
InChIKeyASONXAJWJLYRLJ-UHFFFAOYSA-N
MW222.16 g/mol
LogP2.91
Rot. Bonds1

About 7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane

7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 127000189) has the molecular formula C10H17Cl2N and a molecular weight of 222.16 g/mol. Its IUPAC name is 7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
PubChem CID127000189
Molecular FormulaC10H17Cl2N
Molecular Weight222.16 g/mol
Exact Mass221.07
IUPAC Name7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)N1CCC2(C)C(C1)C2(Cl)Cl
InChIInChI=1S/C10H17Cl2N/c1-7(2)13-5-4-9(3)8(6-13)10(9,11)12/h7-8H,4-6H2,1-3H3
InChIKeyASONXAJWJLYRLJ-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane
CID 170274306
4,4-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 117025067
3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206
6-propan-2-yl-1,6-diazaspiro[2.4]heptane
CID 155640500
6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
CID 169193368
(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
6-propan-2-yl-1,6-diazaspiro[2.5]octane
CID 58584452
3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 135165727
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

Frequently Asked Questions

What is the IUPAC name of 7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane (CID 127000189) is 7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane is CC(C)N1CCC2(C)C(C1)C2(Cl)Cl.
What is the InChIKey of 7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is ASONXAJWJLYRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2N/c1-7(2)13-5-4-9(3)8(6-13)10(9,11)12/h7-8H,4-6H2,1-3H3.
What are the key properties of 7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 222.16 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 127000189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).