N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine

C12H26N2O — CID 60852126

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCN1CC(C)OC(C)C1
InChIInChI=1S/C12H26N2O/c1-5-10(2)13-6-7-14-8-11(3)15-12(4)9-14/h10-13H,5-9H2,1-4H3
InChIKeyXRLQQQPCTLWTTB-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.48
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine (PubChem CID 60852126) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine
PubChem CID60852126
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCN1CC(C)OC(C)C1
InChIInChI=1S/C12H26N2O/c1-5-10(2)13-6-7-14-8-11(3)15-12(4)9-14/h10-13H,5-9H2,1-4H3
InChIKeyXRLQQQPCTLWTTB-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine
CID 104961127
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-methoxypropan-2-amine
CID 62575701
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 53215720
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
N-[2-(2-ethylmorpholin-4-yl)ethyl]butan-2-amine
CID 60853221
N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide
CID 42936366
N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
CID 62561816
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
CID 62573860
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide
CID 94181344
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 55085604

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine (CID 60852126) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine is CCC(C)NCCN1CC(C)OC(C)C1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine?
The InChIKey is XRLQQQPCTLWTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-10(2)13-6-7-14-8-11(3)15-12(4)9-14/h10-13H,5-9H2,1-4H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine is sourced from PubChem (CID 60852126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).