6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine

C14H29NO — CID 115849890

IUPAC6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
SMILESCC(C)(C)CCC(N)CCC1CCCCO1
InChIInChI=1S/C14H29NO/c1-14(2,3)10-9-12(15)7-8-13-6-4-5-11-16-13/h12-13H,4-11,15H2,1-3H3
InChIKeyXHUNINAADDTRMR-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.49
Rot. Bonds5

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

6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine (PubChem CID 115849890) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
PubChem CID115849890
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
SMILESCC(C)(C)CCC(N)CCC1CCCCO1
InChIInChI=1S/C14H29NO/c1-14(2,3)10-9-12(15)7-8-13-6-4-5-11-16-13/h12-13H,4-11,15H2,1-3H3
InChIKeyXHUNINAADDTRMR-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
1-(oxan-2-yl)nonan-3-amine
CID 115833397
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115842841
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
5-methylidene-1-(oxan-2-yl)heptan-3-amine
CID 105005878
1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
CID 115848376
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1-cyclobutyl-3-(oxan-2-yl)propan-1-amine
CID 105049432

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine?
The IUPAC name of 6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine (CID 115849890) is 6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine.
What is the SMILES notation for 6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine?
The canonical SMILES for 6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine is CC(C)(C)CCC(N)CCC1CCCCO1.
What is the InChIKey of 6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine?
The InChIKey is XHUNINAADDTRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,3)10-9-12(15)7-8-13-6-4-5-11-16-13/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine?
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine is sourced from PubChem (CID 115849890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).