[1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine

C13H23N — CID 164656358

IUPAC[1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine
SMILESNCC1(CC2CCC3CC3C2)CCC1
InChIInChI=1S/C13H23N/c14-9-13(4-1-5-13)8-10-2-3-11-7-12(11)6-10/h10-12H,1-9,14H2
InChIKeyYADWCZGXISICGU-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds3

About [1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine

[1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine (PubChem CID 164656358) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is [1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine
PubChem CID164656358
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name[1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine
SMILESNCC1(CC2CCC3CC3C2)CCC1
InChIInChI=1S/C13H23N/c14-9-13(4-1-5-13)8-10-2-3-11-7-12(11)6-10/h10-12H,1-9,14H2
InChIKeyYADWCZGXISICGU-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine
CID 124658554
[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
[1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine
CID 116929365
[4-(cyclopentylmethyl)oxan-4-yl]methanamine
CID 62905905
[4-(cyclohexylmethyl)oxan-4-yl]methanamine
CID 62906945
3-bicyclo[4.2.0]octanylmethanamine
CID 131991304
[3-(cyclopentylmethyl)oxetan-3-yl]methanamine
CID 116930584
(1S,3S)-3-ethylbicyclo[4.1.0]heptane
CID 143706776
[3-(cyclohexylmethyl)oxetan-3-yl]methanamine
CID 116930585
[1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine
CID 69118044
(3-cyclohexylcyclopentyl)methanamine
CID 83636273

Frequently Asked Questions

What is the IUPAC name of [1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine (CID 164656358) is [1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine is NCC1(CC2CCC3CC3C2)CCC1.
What is the InChIKey of [1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine?
The InChIKey is YADWCZGXISICGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c14-9-13(4-1-5-13)8-10-2-3-11-7-12(11)6-10/h10-12H,1-9,14H2.
What are the key properties of [1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine?
[1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bicyclo[4.1.0]heptanylmethyl)cyclobutyl]methanamine is sourced from PubChem (CID 164656358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).