(2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol

C12H25NO2 — CID 94422130

IUPAC(2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol
SMILESCC(C)C[C@@H](CO)NCC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-10(2)7-12(9-14)13-8-11-3-5-15-6-4-11/h10-14H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyJGDWRQWAYBJPCK-LBPRGKRZSA-N
MW215.34 g/mol
LogP1.41
Rot. Bonds6

About (2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol

(2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol (PubChem CID 94422130) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name(2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol
PubChem CID94422130
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol
SMILESCC(C)C[C@@H](CO)NCC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-10(2)7-12(9-14)13-8-11-3-5-15-6-4-11/h10-14H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyJGDWRQWAYBJPCK-LBPRGKRZSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylmethylamino)-4-methylpentan-1-ol
CID 65458956
2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol
CID 81101798
4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol
CID 115711535
4-methyl-2-(oxan-4-ylamino)pentan-1-ol
CID 21355434
1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
CID 43751776
N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine
CID 43370762
N,4-dimethyl-2-(oxan-4-ylmethylamino)pentanamide
CID 55065982
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine
CID 63451824
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine
CID 62386572
2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 63711162

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol?
The IUPAC name of (2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol (CID 94422130) is (2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol.
What is the SMILES notation for (2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol?
The canonical SMILES for (2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol is CC(C)C[C@@H](CO)NCC1CCOCC1.
What is the InChIKey of (2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol?
The InChIKey is JGDWRQWAYBJPCK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)7-12(9-14)13-8-11-3-5-15-6-4-11/h10-14H,3-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol?
(2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 94422130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).