N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine

C13H23N — CID 98119580

IUPACN-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
SMILESC[C@@H](NC1CCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C13H23N/c1-9(14-12-3-2-4-12)13-8-10-5-6-11(13)7-10/h9-14H,2-8H2,1H3/t9-,10-,11-,13+/m1/s1
InChIKeyXGDYMWNQPQKOQI-UZWSLXQKSA-N
MW193.33 g/mol
LogP2.95
Rot. Bonds3

About N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine

N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine (PubChem CID 98119580) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
PubChem CID98119580
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
SMILESC[C@@H](NC1CCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C13H23N/c1-9(14-12-3-2-4-12)13-8-10-5-6-11(13)7-10/h9-14H,2-8H2,1H3/t9-,10-,11-,13+/m1/s1
InChIKeyXGDYMWNQPQKOQI-UZWSLXQKSA-N
XLogP2.95
TPSA12.03 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64594055
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65072788
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723595
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43178308
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-ethylcyclohexan-1-amine
CID 43081276
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79829243
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 43082314
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol
CID 60897542
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79539590
tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate
CID 63422419

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine?
The IUPAC name of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine (CID 98119580) is N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine.
What is the SMILES notation for N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine?
The canonical SMILES for N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine is C[C@@H](NC1CCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine?
The InChIKey is XGDYMWNQPQKOQI-UZWSLXQKSA-N. The full InChI is InChI=1S/C13H23N/c1-9(14-12-3-2-4-12)13-8-10-5-6-11(13)7-10/h9-14H,2-8H2,1H3/t9-,10-,11-,13+/m1/s1.
What are the key properties of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine?
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine has a molecular weight of 193.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine is sourced from PubChem (CID 98119580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).