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

C10H19N — CID 176763978

IUPAC7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC1C2CCN(C(C)C)CC12
InChIInChI=1S/C10H19N/c1-7(2)11-5-4-9-8(3)10(9)6-11/h7-10H,4-6H2,1-3H3
InChIKeyDHFBJRDTAXCVAK-UHFFFAOYSA-N
MW153.27 g/mol
LogP1.98
Rot. Bonds1

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

7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 176763978) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
PubChem CID176763978
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC1C2CCN(C(C)C)CC12
InChIInChI=1S/C10H19N/c1-7(2)11-5-4-9-8(3)10(9)6-11/h7-10H,4-6H2,1-3H3
InChIKeyDHFBJRDTAXCVAK-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58030182
8,9-dimethyl-2-propan-2-yl-2-azabicyclo[5.2.0]nonane;8,9-dimethyl-3-propan-2-yl-3-azabicyclo[5.2.0]nonane;8,9-dimethyl-4-propan-2-yl-4-azabicyclo[5.2.0]nonane
CID 157384345
8,9-dimethyl-2-propan-2-yl-2-azabicyclo[5.2.0]nonane;8,9-dimethyl-3-propan-2-yl-3-azabicyclo[5.2.0]nonane;8,9-dimethyl-4-propan-2-yl-4-azabicyclo[5.2.0]nonane;methane
CID 165029222
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
CID 176748171
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane (CID 176763978) is 7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane is CC1C2CCN(C(C)C)CC12.
What is the InChIKey of 7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is DHFBJRDTAXCVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)11-5-4-9-8(3)10(9)6-11/h7-10H,4-6H2,1-3H3.
What are the key properties of 7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 153.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 176763978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).