3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine

C13H28N2O — CID 62421381

IUPAC3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C(C)C)N1CCOCC1C
InChIInChI=1S/C13H28N2O/c1-5-6-14-9-13(11(2)3)15-7-8-16-10-12(15)4/h11-14H,5-10H2,1-4H3
InChIKeyYBOMQWRZFTVOQZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine

3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine (PubChem CID 62421381) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine
PubChem CID62421381
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C(C)C)N1CCOCC1C
InChIInChI=1S/C13H28N2O/c1-5-6-14-9-13(11(2)3)15-7-8-16-10-12(15)4/h11-14H,5-10H2,1-4H3
InChIKeyYBOMQWRZFTVOQZ-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
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

3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 62438112
3-methyl-4-pentan-2-ylmorpholine
CID 130660502
N-ethyl-4-(3-methylmorpholin-4-yl)pentan-1-amine
CID 62422885
2-(3-ethylmorpholin-4-yl)-N-propylbutan-1-amine
CID 62432044
2-(3-ethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine
CID 62432213
2-(3-methylmorpholin-4-yl)pentan-1-amine
CID 43541861
2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine
CID 63621134
3-amino-2-(3-methylmorpholin-4-yl)hexan-1-ol
CID 114356651
2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile
CID 64727471
(2R)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 124710087
(2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 97322384
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide
CID 111834776

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine (CID 62421381) is 3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine is CCCNCC(C(C)C)N1CCOCC1C.
What is the InChIKey of 3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine?
The InChIKey is YBOMQWRZFTVOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-6-14-9-13(11(2)3)15-7-8-16-10-12(15)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine?
3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 62421381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).