ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine

C13H31NO — CID 171557309

IUPACethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine
SMILESCC.CCN(C)C(C)(C)CCOC(C)C
InChIInChI=1S/C11H25NO.C2H6/c1-7-12(6)11(4,5)8-9-13-10(2)3;1-2/h10H,7-9H2,1-6H3;1-2H3
InChIKeyKZWQNRHMSAEUSW-UHFFFAOYSA-N
MW217.40 g/mol
LogP3.56
Rot. Bonds6

About ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine

ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine (PubChem CID 171557309) has the molecular formula C13H31NO and a molecular weight of 217.40 g/mol. Its IUPAC name is ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine
PubChem CID171557309
Molecular FormulaC13H31NO
Molecular Weight217.40 g/mol
Exact Mass217.24
IUPAC Nameethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine
SMILESCC.CCN(C)C(C)(C)CCOC(C)C
InChIInChI=1S/C11H25NO.C2H6/c1-7-12(6)11(4,5)8-9-13-10(2)3;1-2/h10H,7-9H2,1-6H3;1-2H3
InChIKeyKZWQNRHMSAEUSW-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-propan-2-yloxypropan-1-amine
CID 20742864
N,N-diethyl-2,2-dimethyl-3-propan-2-yloxypropan-1-amine
CID 53980028
2,2,3,4,4-Pentamethyl-1,3-oxazinane
CID 57903570
1-Tert-butyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 68401999
3-butan-2-yloxy-N,N-diethylpropan-1-amine
CID 88586577
N-(3-ethoxypropyl)-N,2-dimethylpropan-2-amine
CID 89967753
3-butan-2-yloxy-N-ethyl-N-methylpropan-1-amine
CID 89998748
N-ethyl-N-methyl-3-propan-2-yloxypropan-1-amine
CID 89998755
N-(1-methoxyethyl)-N,2-dimethylbutan-2-amine
CID 90928626
N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine
CID 118684034
1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine
CID 121368573
5-butan-2-yloxy-N-ethyl-N,3-dimethylhexan-3-amine
CID 123291529

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine?
The IUPAC name of ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine (CID 171557309) is ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine.
What is the SMILES notation for ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine?
The canonical SMILES for ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine is CC.CCN(C)C(C)(C)CCOC(C)C.
What is the InChIKey of ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine?
The InChIKey is KZWQNRHMSAEUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO.C2H6/c1-7-12(6)11(4,5)8-9-13-10(2)3;1-2/h10H,7-9H2,1-6H3;1-2H3.
What are the key properties of ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine?
ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine has a molecular weight of 217.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N,2-dimethyl-4-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 171557309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).