[(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine

C12H23N — CID 178199763

IUPAC[(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCCC1([C@H]2[C@H](CN)C2(C)C)CCC1
InChIInChI=1S/C12H23N/c1-4-12(6-5-7-12)10-9(8-13)11(10,2)3/h9-10H,4-8,13H2,1-3H3/t9-,10-/m0/s1
InChIKeyFHEGDYBKKCNBPE-UWVGGRQHSA-N
MW181.32 g/mol
LogP2.80
Rot. Bonds3

About [(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine

[(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178199763) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is [(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID178199763
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name[(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCCC1([C@H]2[C@H](CN)C2(C)C)CCC1
InChIInChI=1S/C12H23N/c1-4-12(6-5-7-12)10-9(8-13)11(10,2)3/h9-10H,4-8,13H2,1-3H3/t9-,10-/m0/s1
InChIKeyFHEGDYBKKCNBPE-UWVGGRQHSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine
CID 178197811
[(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine
CID 178197076
1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane
CID 91548537
2-(1-ethylcyclohexyl)oxirane
CID 123342975
ethane;(4-ethyl-4-methylcyclohexyl)methanamine
CID 143414681
(5-ethyl-5-methylpiperidin-2-yl)methanamine
CID 165439097
(2-methoxyspiro[2.4]heptan-1-yl)methanamine
CID 102547918
1-(1-ethylcyclopentyl)-2-methylcyclohexane
CID 173420432
1-ethylbicyclo[2.2.0]hexane
CID 90977886
(2,2,3-trimethylcyclopentyl)methanamine
CID 55290108
[(4R,5R)-5-(aminomethyl)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]methanamine;platinum
CID 161224025
(2,2,3-trimethyl-3-propylcyclopropyl)methanamine
CID 126974715

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine (CID 178199763) is [(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine is CCC1([C@H]2[C@H](CN)C2(C)C)CCC1.
What is the InChIKey of [(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is FHEGDYBKKCNBPE-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H23N/c1-4-12(6-5-7-12)10-9(8-13)11(10,2)3/h9-10H,4-8,13H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of [(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine?
[(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178199763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).