4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine

C17H36N4O — CID 139572885

IUPAC4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)(COCC(C)N2CCC(CN)C2)CC1
InChIInChI=1S/C17H36N4O/c1-14(2)20-8-5-17(19,6-9-20)13-22-12-15(3)21-7-4-16(10-18)11-21/h14-16H,4-13,18-19H2,1-3H3
InChIKeyFUITVINKMNEGML-UHFFFAOYSA-N
MW312.50 g/mol
LogP0.87
Rot. Bonds7

About 4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine

4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 139572885) has the molecular formula C17H36N4O and a molecular weight of 312.50 g/mol. Its IUPAC name is 4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID139572885
Molecular FormulaC17H36N4O
Molecular Weight312.50 g/mol
Exact Mass312.29
IUPAC Name4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)(COCC(C)N2CCC(CN)C2)CC1
InChIInChI=1S/C17H36N4O/c1-14(2)20-8-5-17(19,6-9-20)13-22-12-15(3)21-7-4-16(10-18)11-21/h14-16H,4-13,18-19H2,1-3H3
InChIKeyFUITVINKMNEGML-UHFFFAOYSA-N
XLogP0.87
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine (CID 139572885) is 4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N)(COCC(C)N2CCC(CN)C2)CC1.
What is the InChIKey of 4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is FUITVINKMNEGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O/c1-14(2)20-8-5-17(19,6-9-20)13-22-12-15(3)21-7-4-16(10-18)11-21/h14-16H,4-13,18-19H2,1-3H3.
What are the key properties of 4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine?
4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 312.50 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propoxymethyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 139572885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).