N-methyl-1-morpholin-3-ylbutan-2-amine

C9H20N2O — CID 116956752

IUPACN-methyl-1-morpholin-3-ylbutan-2-amine
SMILESCCC(CC1COCCN1)NC
InChIInChI=1S/C9H20N2O/c1-3-8(10-2)6-9-7-12-5-4-11-9/h8-11H,3-7H2,1-2H3
InChIKeyZFLGFLHUDKOOOM-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.36
Rot. Bonds4

About N-methyl-1-morpholin-3-ylbutan-2-amine

N-methyl-1-morpholin-3-ylbutan-2-amine (PubChem CID 116956752) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-methyl-1-morpholin-3-ylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-morpholin-3-ylbutan-2-amine
PubChem CID116956752
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-methyl-1-morpholin-3-ylbutan-2-amine
SMILESCCC(CC1COCCN1)NC
InChIInChI=1S/C9H20N2O/c1-3-8(10-2)6-9-7-12-5-4-11-9/h8-11H,3-7H2,1-2H3
InChIKeyZFLGFLHUDKOOOM-UHFFFAOYSA-N
XLogP0.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Methoxyethyl)-1-methylpiperidin-4-amine
CID 2761027
2-(Methoxymethyl)piperidine hydrochloride
CID 45926159
Methyl(2-(morpholin-3-yl)ethyl)amine
CID 53849357
2-(Methoxymethyl)piperidine
CID 4090648
1-ethyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2247136
(2R)-2-((tert-butoxy)methyl)piperidine hydrochloride
CID 132342055
2-((Tert-butoxy)methyl)piperidine hydrochloride
CID 138987595
1-ethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine
CID 2846291
N-(1-methoxypropan-2-yl)-1-methylpiperidin-4-amine
CID 2849472
3-Morpholinpropylamine
CID 14976719
(3S)-N-cyclohexyloxan-3-amine
CID 95380348
(2R)-2-[(tert-Butoxy)methyl]piperidine
CID 10654754

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-morpholin-3-ylbutan-2-amine?
The IUPAC name of N-methyl-1-morpholin-3-ylbutan-2-amine (CID 116956752) is N-methyl-1-morpholin-3-ylbutan-2-amine.
What is the SMILES notation for N-methyl-1-morpholin-3-ylbutan-2-amine?
The canonical SMILES for N-methyl-1-morpholin-3-ylbutan-2-amine is CCC(CC1COCCN1)NC.
What is the InChIKey of N-methyl-1-morpholin-3-ylbutan-2-amine?
The InChIKey is ZFLGFLHUDKOOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-8(10-2)6-9-7-12-5-4-11-9/h8-11H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-morpholin-3-ylbutan-2-amine?
N-methyl-1-morpholin-3-ylbutan-2-amine has a molecular weight of 172.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-morpholin-3-ylbutan-2-amine is sourced from PubChem (CID 116956752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).