4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine

C13H28N2O — CID 62439294

IUPAC4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCC(C)N1CCOC(C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)14-7-5-6-12(3)15-8-9-16-13(4)10-15/h11-14H,5-10H2,1-4H3
InChIKeyNUBJSZUSXCMHGI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds6

About 4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine

4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 62439294) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
PubChem CID62439294
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCC(C)N1CCOC(C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)14-7-5-6-12(3)15-8-9-16-13(4)10-15/h11-14H,5-10H2,1-4H3
InChIKeyNUBJSZUSXCMHGI-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
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-(2-methyl-1,4-oxazepan-4-yl)-N-propan-2-ylbutan-1-amine
CID 62974621
4-(2-methylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070458
N-[3-(2-methylmorpholin-4-yl)butyl]cyclopropanamine
CID 62439473
4-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 55215458
4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 63167863
N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
CID 55158377
2-methyl-4-propan-2-ylmorpholine
CID 176666634
N-(2-methoxyethyl)-2-(2-methylmorpholin-4-yl)propan-1-amine
CID 62557805
4-(2-methylmorpholin-4-yl)pentan-2-one
CID 64697902
4-(4-tert-butylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62463195
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine
CID 64708050
3-methyl-2-(2-methylmorpholin-4-yl)-N-(2-methylpropyl)butan-1-amine
CID 62437434

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine (CID 62439294) is 4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine is CC(C)NCCCC(C)N1CCOC(C)C1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is NUBJSZUSXCMHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)14-7-5-6-12(3)15-8-9-16-13(4)10-15/h11-14H,5-10H2,1-4H3.
What are the key properties of 4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine?
4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62439294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).