N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine

C12H21N — CID 63689763

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
SMILESC1CC(NCC2CC3CCC2C3)C1
InChIInChI=1S/C12H21N/c1-2-12(3-1)13-8-11-7-9-4-5-10(11)6-9/h9-13H,1-8H2
InChIKeyPWFFXBJMWJGNSY-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.56
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine

N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine (PubChem CID 63689763) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
PubChem CID63689763
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
SMILESC1CC(NCC2CC3CCC2C3)C1
InChIInChI=1S/C12H21N/c1-2-12(3-1)13-8-11-7-9-4-5-10(11)6-9/h9-13H,1-8H2
InChIKeyPWFFXBJMWJGNSY-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine
CID 62734121
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethylpiperidin-4-amine
CID 55232032
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine
CID 63506248
trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine
CID 130978957
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780287
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63682089
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea
CID 26974944
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 114123275
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine
CID 115337616

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine (CID 63689763) is N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine is C1CC(NCC2CC3CCC2C3)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine?
The InChIKey is PWFFXBJMWJGNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-12(3-1)13-8-11-7-9-4-5-10(11)6-9/h9-13H,1-8H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine has a molecular weight of 179.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine is sourced from PubChem (CID 63689763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).