5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine

C13H28N2O — CID 62421023

IUPAC5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCN1CCOCC1C
InChIInChI=1S/C13H28N2O/c1-12(2)14-7-5-4-6-8-15-9-10-16-11-13(15)3/h12-14H,4-11H2,1-3H3
InChIKeyOKKQGCDZZVOQMJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About 5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine

5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 62421023) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
PubChem CID62421023
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCN1CCOCC1C
InChIInChI=1S/C13H28N2O/c1-12(2)14-7-5-4-6-8-15-9-10-16-11-13(15)3/h12-14H,4-11H2,1-3H3
InChIKeyOKKQGCDZZVOQMJ-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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

N-tert-butyl-5-(3-methylmorpholin-4-yl)pentan-1-amine
CID 55074463
N-ethyl-4-(3-methylmorpholin-4-yl)butan-1-amine
CID 62421385
5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 62228408
4-(3-methylmorpholin-4-yl)butan-1-ol
CID 43542485
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62448418
3-(3-methylmorpholin-4-yl)propan-1-amine
CID 43541798
N-[(4-nonylmorpholin-3-yl)methyl]propan-2-amine
CID 83100021
2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 55051923
2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid
CID 106805798
3-[(3R)-3-methylmorpholin-4-yl]propyl hypoiodite
CID 170083602
N-[2-(3-methylmorpholin-4-yl)ethyl]cyclopropanamine
CID 60840871
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine (CID 62421023) is 5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCN1CCOCC1C.
What is the InChIKey of 5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is OKKQGCDZZVOQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)14-7-5-4-6-8-15-9-10-16-11-13(15)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine?
5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62421023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).