N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine

C13H26N2O — CID 167249259

IUPACN-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine
SMILESCC(C)NC[C@H]1CC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)14-10-12-3-4-13(9-12)15-5-7-16-8-6-15/h11-14H,3-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyRYNVYOLKABBXMQ-QWHCGFSZSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine

N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine (PubChem CID 167249259) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine
PubChem CID167249259
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine
SMILESCC(C)NC[C@H]1CC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)14-10-12-3-4-13(9-12)15-5-7-16-8-6-15/h11-14H,3-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyRYNVYOLKABBXMQ-QWHCGFSZSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine (CID 167249259) is N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine is CC(C)NC[C@H]1CC[C@@H](N2CCOCC2)C1.
What is the InChIKey of N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine?
The InChIKey is RYNVYOLKABBXMQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-10-12-3-4-13(9-12)15-5-7-16-8-6-15/h11-14H,3-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine?
N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 167249259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).