2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol

C13H25NO2 — CID 114756114

IUPAC2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESCC1(C)CC(NCC2(CCO)CC2)CCO1
InChIInChI=1S/C13H25NO2/c1-12(2)9-11(3-8-16-12)14-10-13(4-5-13)6-7-15/h11,14-15H,3-10H2,1-2H3
InChIKeyPXNBZNKHSHNLPA-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.70
Rot. Bonds5

About 2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114756114) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID114756114
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESCC1(C)CC(NCC2(CCO)CC2)CCO1
InChIInChI=1S/C13H25NO2/c1-12(2)9-11(3-8-16-12)14-10-13(4-5-13)6-7-15/h11,14-15H,3-10H2,1-2H3
InChIKeyPXNBZNKHSHNLPA-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methylamino)-3-(oxan-4-yl)propan-1-ol
CID 65235282
2,2,3,3-tetramethyl-N-propyloxan-4-amine
CID 67818758
[4-[(Propan-2-ylamino)methyl]oxan-4-yl]methanol
CID 115906537
(1S,3S)-1-(propan-2-ylamino)-7-oxaspiro[3.5]nonan-3-ol
CID 146534910
3-(Tert-butylamino)-3-(oxan-4-yl)propan-1-ol
CID 165376861
2-[(2,2-Dimethyloxan-4-yl)amino]ethanol
CID 14407589
2-[(2,2-Dimethyloxan-4-yl)amino]propan-1-ol
CID 64097620
2-[(2,2-Dimethyloxan-4-yl)amino]butan-1-ol
CID 64098593
3-[(2-Ethyl-2-methyloxan-4-yl)amino]propan-1-ol
CID 64098989
3-[(2,2-Dimethyloxan-4-yl)amino]propan-1-ol
CID 64098990
N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyloxan-4-amine
CID 64100384
N-(2,2-dimethylcyclopropyl)-2,2-dimethyloxan-4-amine
CID 64101462

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol (CID 114756114) is 2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol is CC1(C)CC(NCC2(CCO)CC2)CCO1.
What is the InChIKey of 2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is PXNBZNKHSHNLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2)9-11(3-8-16-12)14-10-13(4-5-13)6-7-15/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114756114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).