2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine

C12H23NO — CID 7077087

IUPAC2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
SMILESC=C1C[C@@H](CNCC(C)C)O[C@@H](C)C1
InChIInChI=1S/C12H23NO/c1-9(2)7-13-8-12-6-10(3)5-11(4)14-12/h9,11-13H,3,5-8H2,1-2,4H3/t11-,12-/m0/s1
InChIKeyBJPVBGBVOJLXAK-RYUDHWBXSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds4

About 2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine

2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine (PubChem CID 7077087) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
PubChem CID7077087
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
SMILESC=C1C[C@@H](CNCC(C)C)O[C@@H](C)C1
InChIInChI=1S/C12H23NO/c1-9(2)7-13-8-12-6-10(3)5-11(4)14-12/h9,11-13H,3,5-8H2,1-2,4H3/t11-,12-/m0/s1
InChIKeyBJPVBGBVOJLXAK-RYUDHWBXSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-(oxan-2-ylmethyl)but-3-en-1-amine
CID 64313742
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2-Hex-1-en-3-ylmorpholine
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2-Pent-1-en-2-ylmorpholine
CID 68590326
3-Ethoxy-5-methylidenepiperidine
CID 91444845
2-(2-Methylprop-2-enyl)morpholine
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2-(2-Methylidenepent-4-enyl)morpholine
CID 118117904
[(2R)-4-methylideneoxan-2-yl]methylcyanamide
CID 155718893
2-methyl-N-[[(2R,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 929047
[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 1795242
2-methyl-N-[[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 1795243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine (CID 7077087) is 2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine is C=C1C[C@@H](CNCC(C)C)O[C@@H](C)C1.
What is the InChIKey of 2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine?
The InChIKey is BJPVBGBVOJLXAK-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)7-13-8-12-6-10(3)5-11(4)14-12/h9,11-13H,3,5-8H2,1-2,4H3/t11-,12-/m0/s1.
What are the key properties of 2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 7077087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).