3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide

C9H19N3O2 — CID 61336630

IUPAC3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide
SMILESCC(CN1CCOC(CN)C1)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-7(9(11)13)5-12-2-3-14-8(4-10)6-12/h7-8H,2-6,10H2,1H3,(H2,11,13)
InChIKeyRPDNFEPTUNNQQN-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.23
Rot. Bonds4

About 3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide

3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide (PubChem CID 61336630) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide
PubChem CID61336630
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide
SMILESCC(CN1CCOC(CN)C1)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-7(9(11)13)5-12-2-3-14-8(4-10)6-12/h7-8H,2-6,10H2,1H3,(H2,11,13)
InChIKeyRPDNFEPTUNNQQN-UHFFFAOYSA-N
XLogP-1.23
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-ethylmorpholin-4-yl)-2-methylpropanoate
CID 43562855
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
2-[2-(aminomethyl)morpholin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 61337607
[4-(2-ethylbutyl)morpholin-2-yl]methanamine
CID 82924060
3-[2-(aminomethyl)morpholin-4-yl]propanamide
CID 61336433
3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide
CID 81203073
[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine
CID 131115606
2-[2-(aminomethyl)morpholin-4-yl]-N-methylacetamide
CID 61336632
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate
CID 65442042
(2S)-1-(2-ethylmorpholin-4-yl)propan-2-amine
CID 103934483
4-(2-ethylmorpholin-4-yl)-3-methylbutan-1-amine
CID 80544103

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide?
The IUPAC name of 3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide (CID 61336630) is 3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide?
The canonical SMILES for 3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide is CC(CN1CCOC(CN)C1)C(N)=O.
What is the InChIKey of 3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide?
The InChIKey is RPDNFEPTUNNQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(9(11)13)5-12-2-3-14-8(4-10)6-12/h7-8H,2-6,10H2,1H3,(H2,11,13).
What are the key properties of 3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide?
3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide has a molecular weight of 201.27 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 61336630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).