N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine

C16H35N3O — CID 161322486

IUPACN,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine
SMILESCC(C)CN(C)CCCN1CCO[C@@H](CNC(C)C)C1
InChIInChI=1S/C16H35N3O/c1-14(2)12-18(5)7-6-8-19-9-10-20-16(13-19)11-17-15(3)4/h14-17H,6-13H2,1-5H3/t16-/m0/s1
InChIKeyVKIDYEYLVLMVFN-INIZCTEOSA-N
MW285.48 g/mol
LogP1.66
Rot. Bonds9

About N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine

N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine (PubChem CID 161322486) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine
PubChem CID161322486
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC NameN,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine
SMILESCC(C)CN(C)CCCN1CCO[C@@H](CNC(C)C)C1
InChIInChI=1S/C16H35N3O/c1-14(2)12-18(5)7-6-8-19-9-10-20-16(13-19)11-17-15(3)4/h14-17H,6-13H2,1-5H3/t16-/m0/s1
InChIKeyVKIDYEYLVLMVFN-INIZCTEOSA-N
XLogP1.66
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine with MolForge

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Related Compounds

N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine
CID 168856384
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 164568142
N-[2-[2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 155750922
N-[2-[(2R)-2-[2-(ethylamino)ethyl]morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 167191852
1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol
CID 170115847
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine
CID 170952081
N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 166800661
N-[(4-ethylmorpholin-2-yl)methyl]-6-methylheptan-2-amine
CID 79166729

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine (CID 161322486) is N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine is CC(C)CN(C)CCCN1CCO[C@@H](CNC(C)C)C1.
What is the InChIKey of N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine?
The InChIKey is VKIDYEYLVLMVFN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H35N3O/c1-14(2)12-18(5)7-6-8-19-9-10-20-16(13-19)11-17-15(3)4/h14-17H,6-13H2,1-5H3/t16-/m0/s1.
What are the key properties of N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine?
N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine is sourced from PubChem (CID 161322486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).