5-methyl-1-(oxan-2-yl)hexan-3-amine

C12H25NO — CID 115782296

IUPAC5-methyl-1-(oxan-2-yl)hexan-3-amine
SMILESCC(C)CC(N)CCC1CCCCO1
InChIInChI=1S/C12H25NO/c1-10(2)9-11(13)6-7-12-5-3-4-8-14-12/h10-12H,3-9,13H2,1-2H3
InChIKeyPPMSRDYUSFCPTC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds5

About 5-methyl-1-(oxan-2-yl)hexan-3-amine

5-methyl-1-(oxan-2-yl)hexan-3-amine (PubChem CID 115782296) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-methyl-1-(oxan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name5-methyl-1-(oxan-2-yl)hexan-3-amine
PubChem CID115782296
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-methyl-1-(oxan-2-yl)hexan-3-amine
SMILESCC(C)CC(N)CCC1CCCCO1
InChIInChI=1S/C12H25NO/c1-10(2)9-11(13)6-7-12-5-3-4-8-14-12/h10-12H,3-9,13H2,1-2H3
InChIKeyPPMSRDYUSFCPTC-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
CID 115849890
1-(oxan-2-yl)nonan-3-amine
CID 115833397
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
5-methylidene-1-(oxan-2-yl)heptan-3-amine
CID 105005878
1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115842841
1,3-bis(oxan-2-yl)propan-1-amine
CID 173130870

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-2-yl)hexan-3-amine?
The IUPAC name of 5-methyl-1-(oxan-2-yl)hexan-3-amine (CID 115782296) is 5-methyl-1-(oxan-2-yl)hexan-3-amine.
What is the SMILES notation for 5-methyl-1-(oxan-2-yl)hexan-3-amine?
The canonical SMILES for 5-methyl-1-(oxan-2-yl)hexan-3-amine is CC(C)CC(N)CCC1CCCCO1.
What is the InChIKey of 5-methyl-1-(oxan-2-yl)hexan-3-amine?
The InChIKey is PPMSRDYUSFCPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)9-11(13)6-7-12-5-3-4-8-14-12/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 5-methyl-1-(oxan-2-yl)hexan-3-amine?
5-methyl-1-(oxan-2-yl)hexan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-2-yl)hexan-3-amine is sourced from PubChem (CID 115782296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).