N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine

C9H20N2O — CID 83100500

IUPACN-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1COCCN1C
InChIInChI=1S/C9H20N2O/c1-3-4-10-7-9-8-12-6-5-11(9)2/h9-10H,3-8H2,1-2H3
InChIKeyLOMDGHQFVSQAJM-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds4

About N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine

N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine (PubChem CID 83100500) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
PubChem CID83100500
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1COCCN1C
InChIInChI=1S/C9H20N2O/c1-3-4-10-7-9-8-12-6-5-11(9)2/h9-10H,3-8H2,1-2H3
InChIKeyLOMDGHQFVSQAJM-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
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-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100659
N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100581
(3S)-3-ethyl-4-methylmorpholine
CID 130351596
N-[(4-methylmorpholin-3-yl)methyl]acetamide
CID 10035059
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 83105942
[(3S)-4-methylmorpholin-3-yl]methanamine
CID 66577079
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
3-(fluoromethyl)-4-methylmorpholine
CID 83854278
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83099915
N-[(4-butylmorpholin-3-yl)methyl]ethanamine
CID 83100321
N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100890

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine (CID 83100500) is N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine is CCCNCC1COCCN1C.
What is the InChIKey of N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine?
The InChIKey is LOMDGHQFVSQAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-4-10-7-9-8-12-6-5-11(9)2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine?
N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 83100500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).