[(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine

C9H20N2O — CID 7128988

IUPAC[(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine
SMILESCC(C)CN1CCO[C@@H](CN)C1
InChIInChI=1S/C9H20N2O/c1-8(2)6-11-3-4-12-9(5-10)7-11/h8-9H,3-7,10H2,1-2H3/t9-/m0/s1
InChIKeyJZLWZSHYJMTUMA-VIFPVBQESA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds3

About [(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine

[(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine (PubChem CID 7128988) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is [(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine
PubChem CID7128988
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine
SMILESCC(C)CN1CCO[C@@H](CN)C1
InChIInChI=1S/C9H20N2O/c1-8(2)6-11-3-4-12-9(5-10)7-11/h8-9H,3-7,10H2,1-2H3/t9-/m0/s1
InChIKeyJZLWZSHYJMTUMA-VIFPVBQESA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine?
The IUPAC name of [(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine (CID 7128988) is [(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine?
The canonical SMILES for [(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine is CC(C)CN1CCO[C@@H](CN)C1.
What is the InChIKey of [(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine?
The InChIKey is JZLWZSHYJMTUMA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)6-11-3-4-12-9(5-10)7-11/h8-9H,3-7,10H2,1-2H3/t9-/m0/s1.
What are the key properties of [(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine?
[(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(2-methylpropyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 7128988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).