N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine

C11H23NO2 — CID 115727519

IUPACN-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine
SMILESCCC(C)NC(C)COC1CCOC1
InChIInChI=1S/C11H23NO2/c1-4-9(2)12-10(3)7-14-11-5-6-13-8-11/h9-12H,4-8H2,1-3H3
InChIKeyBSIZJHQIUQIALH-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.57
Rot. Bonds6

About N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine

N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine (PubChem CID 115727519) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine
PubChem CID115727519
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine
SMILESCCC(C)NC(C)COC1CCOC1
InChIInChI=1S/C11H23NO2/c1-4-9(2)12-10(3)7-14-11-5-6-13-8-11/h9-12H,4-8H2,1-3H3
InChIKeyBSIZJHQIUQIALH-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine
CID 103074792
2-[[(butan-2-ylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044754
4-[[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]carbamoyl]benzoic acid
CID 125132997
(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride
CID 119340273
2-amino-2-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]propanamide;hydrochloride
CID 119340247
ethane;3-ethoxyoxolane
CID 142523367
N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine
CID 63558838
(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide
CID 119812763
N-ethyl-5-(oxolan-3-yloxy)pentan-2-amine
CID 63557232
(3S,4S)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide
CID 124777101
(3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide
CID 124777099

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine?
The IUPAC name of N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine (CID 115727519) is N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine.
What is the SMILES notation for N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine?
The canonical SMILES for N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine is CCC(C)NC(C)COC1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine?
The InChIKey is BSIZJHQIUQIALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-9(2)12-10(3)7-14-11-5-6-13-8-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine?
N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine has a molecular weight of 201.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine is sourced from PubChem (CID 115727519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).