[1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine

C15H29N3 — CID 62975832

IUPAC[1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
SMILESCCC1CCN(C2(CN)CCN(C3CC3)C2)CC1
InChIInChI=1S/C15H29N3/c1-2-13-5-8-18(9-6-13)15(11-16)7-10-17(12-15)14-3-4-14/h13-14H,2-12,16H2,1H3
InChIKeyCGITYLIRUITXIY-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.67
Rot. Bonds4

About [1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine

[1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine (PubChem CID 62975832) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is [1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
PubChem CID62975832
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name[1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
SMILESCCC1CCN(C2(CN)CCN(C3CC3)C2)CC1
InChIInChI=1S/C15H29N3/c1-2-13-5-8-18(9-6-13)15(11-16)7-10-17(12-15)14-3-4-14/h13-14H,2-12,16H2,1H3
InChIKeyCGITYLIRUITXIY-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine (CID 62975832) is [1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine is CCC1CCN(C2(CN)CCN(C3CC3)C2)CC1.
What is the InChIKey of [1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is CGITYLIRUITXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-13-5-8-18(9-6-13)15(11-16)7-10-17(12-15)14-3-4-14/h13-14H,2-12,16H2,1H3.
What are the key properties of [1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
[1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 251.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62975832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).