N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine

C14H29N3O — CID 155189256

IUPACN-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)CN(C)CCN1CCO[C@@H](CNCC)C1
InChIInChI=1S/C14H29N3O/c1-5-15-10-14-12-17(8-9-18-14)7-6-16(4)11-13(2)3/h14-15H,2,5-12H2,1,3-4H3/t14-/m0/s1
InChIKeyHZZUFOYVVUIMDP-AWEZNQCLSA-N
MW255.41 g/mol
LogP0.80
Rot. Bonds8

About N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine

N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine (PubChem CID 155189256) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine
PubChem CID155189256
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)CN(C)CCN1CCO[C@@H](CNCC)C1
InChIInChI=1S/C14H29N3O/c1-5-15-10-14-12-17(8-9-18-14)7-6-16(4)11-13(2)3/h14-15H,2,5-12H2,1,3-4H3/t14-/m0/s1
InChIKeyHZZUFOYVVUIMDP-AWEZNQCLSA-N
XLogP0.80
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(Piperazin-1-ylmethyl)prop-2-enyl]morpholine
CID 18547057
4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine
CID 18547063
(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 20529045
2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 53925762
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-en-1-amine
CID 60687136
1-(2-Ethoxyprop-2-enyl)piperazine
CID 67489662
4-[2-(Piperazin-1-ylmethyl)but-2-enyl]morpholine
CID 70024960
N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171896
N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 118688740
N-methyl-3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]propan-1-amine
CID 134351455
N-methyl-3-piperazin-1-yl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 135178132
N-(2-butan-2-yloxyethyl)-3-piperazin-1-ylpropan-1-amine
CID 135181884

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine (CID 155189256) is N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine is C=C(C)CN(C)CCN1CCO[C@@H](CNCC)C1.
What is the InChIKey of N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine?
The InChIKey is HZZUFOYVVUIMDP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-15-10-14-12-17(8-9-18-14)7-6-16(4)11-13(2)3/h14-15H,2,5-12H2,1,3-4H3/t14-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine?
N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 155189256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).