2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine

C10H20N2O — CID 103069720

IUPAC2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1CCOCC1(C)C
InChIInChI=1S/C10H20N2O/c1-9(6-11)7-12-4-5-13-8-10(12,2)3/h1,4-8,11H2,2-3H3
InChIKeyKTLXSQSGPINRCA-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.61
Rot. Bonds3

About 2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine

2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine (PubChem CID 103069720) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine
PubChem CID103069720
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1CCOCC1(C)C
InChIInChI=1S/C10H20N2O/c1-9(6-11)7-12-4-5-13-8-10(12,2)3/h1,4-8,11H2,2-3H3
InChIKeyKTLXSQSGPINRCA-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197774
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464
3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
CID 61430007
(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol
CID 103935066
3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine
CID 131232394
4-(3,3-dimethylmorpholin-4-yl)but-2-enoic acid
CID 76940682
1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol
CID 131114201
4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine
CID 66472303
2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 61432707
3-(3,3-dimethylmorpholin-4-yl)-2-ethoxypropan-1-amine
CID 63070053
6-(3,3-dimethylmorpholin-4-yl)-3,3-dimethylhexan-1-amine
CID 65296338

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine (CID 103069720) is 2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine is C=C(CN)CN1CCOCC1(C)C.
What is the InChIKey of 2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is KTLXSQSGPINRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(6-11)7-12-4-5-13-8-10(12,2)3/h1,4-8,11H2,2-3H3.
What are the key properties of 2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine?
2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 184.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103069720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).