1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane

C14H29N — CID 169242088

IUPAC1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane
SMILESCC.CCCC1CCN(CC2CCC2)C1
InChIInChI=1S/C12H23N.C2H6/c1-2-4-11-7-8-13(9-11)10-12-5-3-6-12;1-2/h11-12H,2-10H2,1H3;1-2H3
InChIKeyRHYVHRXEWIBQAJ-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds4

About 1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane

1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane (PubChem CID 169242088) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane
PubChem CID169242088
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane
SMILESCC.CCCC1CCN(CC2CCC2)C1
InChIInChI=1S/C12H23N.C2H6/c1-2-4-11-7-8-13(9-11)10-12-5-3-6-12;1-2/h11-12H,2-10H2,1H3;1-2H3
InChIKeyRHYVHRXEWIBQAJ-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine
CID 114800298
1-methylidene-4-[[(3S)-3-propylpyrrolidin-1-yl]methyl]piperidin-1-ium
CID 165137979
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
2-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine
CID 106741189
1-(cyclobutylmethyl)-4-hexylpiperidine
CID 167565501
cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 141194202
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
CID 70936687
3-propyl-1-prop-2-ynylpyrrolidine
CID 115667587

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane?
The IUPAC name of 1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane (CID 169242088) is 1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane?
The canonical SMILES for 1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane is CC.CCCC1CCN(CC2CCC2)C1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane?
The InChIKey is RHYVHRXEWIBQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C2H6/c1-2-4-11-7-8-13(9-11)10-12-5-3-6-12;1-2/h11-12H,2-10H2,1H3;1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane?
1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane has a molecular weight of 211.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane is sourced from PubChem (CID 169242088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).