1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane

C20H45N3O — CID 162058346

IUPAC1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane
SMILESC.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C9H19NO.CH4/c1-10(2,3)9-12-7-5-11(4)6-8-12;1-9(2,3)8-10-4-6-11-7-5-10;/h5-9H2,1-4H3;4-8H2,1-3H3;1H4
InChIKeyYZMFVQCFEXVYAF-UHFFFAOYSA-N
MW343.60 g/mol
LogP3.28
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane

1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane (PubChem CID 162058346) has the molecular formula C20H45N3O and a molecular weight of 343.60 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane
PubChem CID162058346
Molecular FormulaC20H45N3O
Molecular Weight343.60 g/mol
Exact Mass343.36
IUPAC Name1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane
SMILESC.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C9H19NO.CH4/c1-10(2,3)9-12-7-5-11(4)6-8-12;1-9(2,3)8-10-4-6-11-7-5-10;/h5-9H2,1-4H3;4-8H2,1-3H3;1H4
InChIKeyYZMFVQCFEXVYAF-UHFFFAOYSA-N
XLogP3.28
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane 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

1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine
CID 157215210
7-methyl-4,10-bis(2,2,2-trifluoroethyl)-16,21-dioxa-1,4,7,10,13-pentazabicyclo[11.5.5]tricosane
CID 174301969
1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one
CID 159461721
2-methyl-1-morpholin-4-ylpropan-2-amine;dihydrochloride
CID 118511951
1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine
CID 163906125
1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane
CID 158519525
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine
CID 155472825
1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 160625863
2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine
CID 162033952

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane (CID 162058346) is 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane is C.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane?
The InChIKey is YZMFVQCFEXVYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C9H19NO.CH4/c1-10(2,3)9-12-7-5-11(4)6-8-12;1-9(2,3)8-10-4-6-11-7-5-10;/h5-9H2,1-4H3;4-8H2,1-3H3;1H4.
What are the key properties of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane?
1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane has a molecular weight of 343.60 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane is sourced from PubChem (CID 162058346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).