[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine

C12H21N — CID 130494579

IUPAC[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine
SMILESNCC1(C2CC3CCC2C3)CCC1
InChIInChI=1S/C12H21N/c13-8-12(4-1-5-12)11-7-9-2-3-10(11)6-9/h9-11H,1-8,13H2
InChIKeyZALTZPXABMKFLV-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.55
Rot. Bonds2

About [1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine

[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine (PubChem CID 130494579) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is [1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine
PubChem CID130494579
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine
SMILESNCC1(C2CC3CCC2C3)CCC1
InChIInChI=1S/C12H21N/c13-8-12(4-1-5-12)11-7-9-2-3-10(11)6-9/h9-11H,1-8,13H2
InChIKeyZALTZPXABMKFLV-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine with MolForge

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]-N-methylmethanamine
CID 130494580
N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 114246431
[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116600831
(1S,3R,7R,8R)-tricyclo[5.2.1.03,8]decan-3-ol
CID 124785144
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 63682928
1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol
CID 72700642
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine
CID 55232625
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylcyclobutane-1-carboxamide
CID 81169750
tricyclo[4.2.1.03,7]nonan-3-ol
CID 4163021
(1-cyclopropylcyclooctyl)methanamine
CID 130515109
2-(aminomethyl)-N-cyclobutyl-N-methylbicyclo[3.1.0]hexan-2-amine
CID 130525697

Frequently Asked Questions

What is the IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine (CID 130494579) is [1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine is NCC1(C2CC3CCC2C3)CCC1.
What is the InChIKey of [1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine?
The InChIKey is ZALTZPXABMKFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c13-8-12(4-1-5-12)11-7-9-2-3-10(11)6-9/h9-11H,1-8,13H2.
What are the key properties of [1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine?
[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine has a molecular weight of 179.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine is sourced from PubChem (CID 130494579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).