2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol

C15H31NO2 — CID 114192008

IUPAC2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol
SMILESCN(C)C(C)(C)C(O)CCCCC1CCOCC1
InChIInChI=1S/C15H31NO2/c1-15(2,16(3)4)14(17)8-6-5-7-13-9-11-18-12-10-13/h13-14,17H,5-12H2,1-4H3
InChIKeyJVFVLBLYTQJFFG-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.67
Rot. Bonds7

About 2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol

2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol (PubChem CID 114192008) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol
PubChem CID114192008
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol
SMILESCN(C)C(C)(C)C(O)CCCCC1CCOCC1
InChIInChI=1S/C15H31NO2/c1-15(2,16(3)4)14(17)8-6-5-7-13-9-11-18-12-10-13/h13-14,17H,5-12H2,1-4H3
InChIKeyJVFVLBLYTQJFFG-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(oxan-4-yl)undecan-5-ol
CID 114191725
(2R)-4-(oxan-4-yl)butan-2-ol
CID 94422374
(2S)-4-(oxan-4-yl)butan-2-ol
CID 94422373
4-(dimethylamino)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 79047027
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
3-methyl-1-(oxan-4-yl)butane-2,3-diol
CID 103448944
3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine
CID 105238872
N-methyl-1-(oxan-4-yl)nonan-5-amine
CID 114192171
1-cyclopropyl-3-(oxan-4-yl)propan-1-ol
CID 63357856
N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine
CID 114192573
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol
CID 115789621
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
CID 115156830

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol?
The IUPAC name of 2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol (CID 114192008) is 2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol?
The canonical SMILES for 2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol is CN(C)C(C)(C)C(O)CCCCC1CCOCC1.
What is the InChIKey of 2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol?
The InChIKey is JVFVLBLYTQJFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-15(2,16(3)4)14(17)8-6-5-7-13-9-11-18-12-10-13/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol?
2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol has a molecular weight of 257.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol is sourced from PubChem (CID 114192008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).