N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine

C18H38N2O2 — CID 138727616

IUPACN-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNC[C@H]1CN(CCOCCCC(C)(C)C)CCO1
InChIInChI=1S/C18H38N2O2/c1-16(2)13-19-14-17-15-20(9-12-22-17)8-11-21-10-6-7-18(3,4)5/h16-17,19H,6-15H2,1-5H3/t17-/m0/s1
InChIKeyLXDYJJRUOLXKBA-KRWDZBQOSA-N
MW314.51 g/mol
LogP2.78
Rot. Bonds10

About N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine

N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 138727616) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID138727616
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC NameN-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNC[C@H]1CN(CCOCCCC(C)(C)C)CCO1
InChIInChI=1S/C18H38N2O2/c1-16(2)13-19-14-17-15-20(9-12-22-17)8-11-21-10-6-7-18(3,4)5/h16-17,19H,6-15H2,1-5H3/t17-/m0/s1
InChIKeyLXDYJJRUOLXKBA-KRWDZBQOSA-N
XLogP2.78
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 176933389
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398
2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 167107358
(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine
CID 158651768
N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine
CID 171540599
2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
CID 138728370
N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]butan-1-amine
CID 171540678
N-[[(2R)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2,5,5-trimethyl-8-[2-[2-[(2-methylpropanoylamino)methyl]morpholin-4-yl]ethoxy]octanamide
CID 170057233
N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine
CID 166800930
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 155188422
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 170057363
N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
CID 166800924

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine (CID 138727616) is N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNC[C@H]1CN(CCOCCCC(C)(C)C)CCO1.
What is the InChIKey of N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LXDYJJRUOLXKBA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-16(2)13-19-14-17-15-20(9-12-22-17)8-11-21-10-6-7-18(3,4)5/h16-17,19H,6-15H2,1-5H3/t17-/m0/s1.
What are the key properties of N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 314.51 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 138727616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).