[1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine

C11H20N2 — CID 164644707

IUPAC[1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine
SMILESNCC1CCN1C1CCC2CC2C1
InChIInChI=1S/C11H20N2/c12-7-11-3-4-13(11)10-2-1-8-5-9(8)6-10/h8-11H,1-7,12H2
InChIKeyIRKXSZBRHZUZBN-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.21
Rot. Bonds2

About [1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine

[1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine (PubChem CID 164644707) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is [1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine
PubChem CID164644707
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name[1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine
SMILESNCC1CCN1C1CCC2CC2C1
InChIInChI=1S/C11H20N2/c12-7-11-3-4-13(11)10-2-1-8-5-9(8)6-10/h8-11H,1-7,12H2
InChIKeyIRKXSZBRHZUZBN-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]methanamine
CID 64624658
(1-cyclopropylpiperidin-2-yl)methanamine
CID 83694601
[1-(1,2-dimethylpiperidin-4-yl)pyrrolidin-2-yl]methanamine
CID 115311727
(1-cycloheptylazepan-2-yl)methanamine
CID 116640538
1-azatricyclo[4.2.0.02,4]octane
CID 131843917
[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine
CID 124658554
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-2-yl]methanamine
CID 103440748
1-cyclopropyl-2-ethylazetidine
CID 170195818
[1-(3-propan-2-ylcyclobutyl)piperidin-2-yl]methanamine
CID 103563708
[1-(3-methoxycyclobutyl)pyrrolidin-2-yl]methanamine
CID 106823007
[1-(3,3-dimethylcyclopentyl)-4-methylpiperidin-2-yl]methanamine
CID 103440477
[(1S,2R,3R,4R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 11309632

Frequently Asked Questions

What is the IUPAC name of [1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine?
The IUPAC name of [1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine (CID 164644707) is [1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine?
The canonical SMILES for [1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine is NCC1CCN1C1CCC2CC2C1.
What is the InChIKey of [1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine?
The InChIKey is IRKXSZBRHZUZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c12-7-11-3-4-13(11)10-2-1-8-5-9(8)6-10/h8-11H,1-7,12H2.
What are the key properties of [1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine?
[1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine has a molecular weight of 180.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine is sourced from PubChem (CID 164644707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).