3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane

C10H17N — CID 170374649

IUPAC3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC1(CN2CC3CC3C2)CC1
InChIInChI=1S/C10H17N/c1-10(2-3-10)7-11-5-8-4-9(8)6-11/h8-9H,2-7H2,1H3
InChIKeyITEIGKWIHUMMHK-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.74
Rot. Bonds2

About 3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane

3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 170374649) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID170374649
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC1(CN2CC3CC3C2)CC1
InChIInChI=1S/C10H17N/c1-10(2-3-10)7-11-5-8-4-9(8)6-11/h8-9H,2-7H2,1H3
InChIKeyITEIGKWIHUMMHK-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane (CID 170374649) is 3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane is CC1(CN2CC3CC3C2)CC1.
What is the InChIKey of 3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is ITEIGKWIHUMMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2-3-10)7-11-5-8-4-9(8)6-11/h8-9H,2-7H2,1H3.
What are the key properties of 3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane?
3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 151.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 170374649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).