N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine

C9H19NO — CID 68709253

IUPACN-methyl-3-[(3S)-oxan-3-yl]propan-1-amine
SMILESCNCCC[C@H]1CCCOC1
InChIInChI=1S/C9H19NO/c1-10-6-2-4-9-5-3-7-11-8-9/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyHXUQSJZBYJNGEQ-VIFPVBQESA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds4

About N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine

N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine (PubChem CID 68709253) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(3S)-oxan-3-yl]propan-1-amine
PubChem CID68709253
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-methyl-3-[(3S)-oxan-3-yl]propan-1-amine
SMILESCNCCC[C@H]1CCCOC1
InChIInChI=1S/C9H19NO/c1-10-6-2-4-9-5-3-7-11-8-9/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyHXUQSJZBYJNGEQ-VIFPVBQESA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine (CID 68709253) is N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine is CNCCC[C@H]1CCCOC1.
What is the InChIKey of N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine?
The InChIKey is HXUQSJZBYJNGEQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO/c1-10-6-2-4-9-5-3-7-11-8-9/h9-10H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine?
N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3S)-oxan-3-yl]propan-1-amine is sourced from PubChem (CID 68709253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).