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

C15H31N3O — CID 156533492

IUPACN,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine
SMILESC=C([C@@H]1CN(CCCNC)CCO1)N(C)CC(C)C
InChIInChI=1S/C15H31N3O/c1-13(2)11-17(5)14(3)15-12-18(9-10-19-15)8-6-7-16-4/h13,15-16H,3,6-12H2,1-2,4-5H3/t15-/m0/s1
InChIKeyWIZKJQMSKZUNPD-HNNXBMFYSA-N
MW269.43 g/mol
LogP1.40
Rot. Bonds8

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

N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine (PubChem CID 156533492) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine
PubChem CID156533492
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine
SMILESC=C([C@@H]1CN(CCCNC)CCO1)N(C)CC(C)C
InChIInChI=1S/C15H31N3O/c1-13(2)11-17(5)14(3)15-12-18(9-10-19-15)8-6-7-16-4/h13,15-16H,3,6-12H2,1-2,4-5H3/t15-/m0/s1
InChIKeyWIZKJQMSKZUNPD-HNNXBMFYSA-N
XLogP1.40
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine
CID 157048783
N'-hydroxy-4-(4-methylpentyl)morpholine-2-carboximidamide
CID 83158543
4-[3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79681736
N,2-dimethyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 138727851
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
2-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 166016856
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587
N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine
CID 161322486
4-(4-methylpentyl)morpholine;N,N,2-trimethylpropan-1-amine
CID 142615810

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine (CID 156533492) is N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine is C=C([C@@H]1CN(CCCNC)CCO1)N(C)CC(C)C.
What is the InChIKey of N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine?
The InChIKey is WIZKJQMSKZUNPD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2)11-17(5)14(3)15-12-18(9-10-19-15)8-6-7-16-4/h13,15-16H,3,6-12H2,1-2,4-5H3/t15-/m0/s1.
What are the key properties of N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine?
N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[1-[(2S)-4-[3-(methylamino)propyl]morpholin-2-yl]ethenyl]propan-1-amine is sourced from PubChem (CID 156533492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).