1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine

C12H23N — CID 59471595

IUPAC1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine
SMILESCCC1CC(CC2CC2)(C(C)N)C1
InChIInChI=1S/C12H23N/c1-3-10-6-12(7-10,9(2)13)8-11-4-5-11/h9-11H,3-8,13H2,1-2H3
InChIKeyHJZFWGWFOPDKQO-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine

1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine (PubChem CID 59471595) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine
PubChem CID59471595
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine
SMILESCCC1CC(CC2CC2)(C(C)N)C1
InChIInChI=1S/C12H23N/c1-3-10-6-12(7-10,9(2)13)8-11-4-5-11/h9-11H,3-8,13H2,1-2H3
InChIKeyHJZFWGWFOPDKQO-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine (CID 59471595) is 1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine is CCC1CC(CC2CC2)(C(C)N)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine?
The InChIKey is HJZFWGWFOPDKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-10-6-12(7-10,9(2)13)8-11-4-5-11/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine?
1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3-ethylcyclobutyl]ethanamine is sourced from PubChem (CID 59471595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).