6-methyl-1-(oxan-2-yl)heptan-3-amine

C13H27NO — CID 115834272

IUPAC6-methyl-1-(oxan-2-yl)heptan-3-amine
SMILESCC(C)CCC(N)CCC1CCCCO1
InChIInChI=1S/C13H27NO/c1-11(2)6-7-12(14)8-9-13-5-3-4-10-15-13/h11-13H,3-10,14H2,1-2H3
InChIKeyZYOQYBFAXAEFAB-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.10
Rot. Bonds6

About 6-methyl-1-(oxan-2-yl)heptan-3-amine

6-methyl-1-(oxan-2-yl)heptan-3-amine (PubChem CID 115834272) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 6-methyl-1-(oxan-2-yl)heptan-3-amine.

Molecular Properties

Compound Name6-methyl-1-(oxan-2-yl)heptan-3-amine
PubChem CID115834272
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name6-methyl-1-(oxan-2-yl)heptan-3-amine
SMILESCC(C)CCC(N)CCC1CCCCO1
InChIInChI=1S/C13H27NO/c1-11(2)6-7-12(14)8-9-13-5-3-4-10-15-13/h11-13H,3-10,14H2,1-2H3
InChIKeyZYOQYBFAXAEFAB-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-1-(oxan-2-yl)heptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
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
5-methyl-1-(oxolan-2-yl)hexan-2-amine
CID 62599893
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-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
5-methylidene-1-(oxan-2-yl)heptan-3-amine
CID 105005878
6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine
CID 105044424
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
CID 115848376

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(oxan-2-yl)heptan-3-amine?
The IUPAC name of 6-methyl-1-(oxan-2-yl)heptan-3-amine (CID 115834272) is 6-methyl-1-(oxan-2-yl)heptan-3-amine.
What is the SMILES notation for 6-methyl-1-(oxan-2-yl)heptan-3-amine?
The canonical SMILES for 6-methyl-1-(oxan-2-yl)heptan-3-amine is CC(C)CCC(N)CCC1CCCCO1.
What is the InChIKey of 6-methyl-1-(oxan-2-yl)heptan-3-amine?
The InChIKey is ZYOQYBFAXAEFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)6-7-12(14)8-9-13-5-3-4-10-15-13/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 6-methyl-1-(oxan-2-yl)heptan-3-amine?
6-methyl-1-(oxan-2-yl)heptan-3-amine has a molecular weight of 213.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(oxan-2-yl)heptan-3-amine is sourced from PubChem (CID 115834272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).