N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine

C13H26N2O — CID 83100519

IUPACN-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1C1CCCC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-9-13-10-16-8-7-15(13)12-5-3-4-6-12/h11-14H,3-10H2,1-2H3
InChIKeyFTXACOXDSKTAOT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds4

About N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine

N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine (PubChem CID 83100519) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine
PubChem CID83100519
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1C1CCCC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-9-13-10-16-8-7-15(13)12-5-3-4-6-12/h11-14H,3-10H2,1-2H3
InChIKeyFTXACOXDSKTAOT-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine (CID 83100519) is N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine is CC(C)NCC1COCCN1C1CCCC1.
What is the InChIKey of N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine?
The InChIKey is FTXACOXDSKTAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-9-13-10-16-8-7-15(13)12-5-3-4-6-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine?
N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 83100519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).