methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine

C30H70N4O2 — CID 158580646

IUPACmethane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine
SMILESC.C.C.CC(C)CN1CCCC1.CC(C)CN1CCOCC1.COCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C11H24N2O.C8H17NO.C8H17N.3CH4/c1-11(2)10-13-6-4-12(5-7-13)8-9-14-3;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;;;/h11H,4-10H2,1-3H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;3*1H4
InChIKeyHTFFMLQHOIIPIC-UHFFFAOYSA-N
MW518.92 g/mol
LogP5.53
Rot. Bonds9

About methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine

methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine (PubChem CID 158580646) has the molecular formula C30H70N4O2 and a molecular weight of 518.92 g/mol. Its IUPAC name is methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Namemethane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine
PubChem CID158580646
Molecular FormulaC30H70N4O2
Molecular Weight518.92 g/mol
Exact Mass518.55
IUPAC Namemethane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine
SMILESC.C.C.CC(C)CN1CCCC1.CC(C)CN1CCOCC1.COCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C11H24N2O.C8H17NO.C8H17N.3CH4/c1-11(2)10-13-6-4-12(5-7-13)8-9-14-3;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;;;/h11H,4-10H2,1-3H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;3*1H4
InChIKeyHTFFMLQHOIIPIC-UHFFFAOYSA-N
XLogP5.53
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.92
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine
CID 161159887
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
ethane;1-methoxybutane;4-(2-methylpropyl)morpholine
CID 163400303
4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperidine
CID 158440529
1-(2-methoxyethyl)azocane
CID 47014834
butane;4-(2-methylpropyl)morpholine
CID 155751822
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
4-[(4S)-6-methoxy-4-methylhexyl]morpholine
CID 174809436

Frequently Asked Questions

What is the IUPAC name of methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine?
The IUPAC name of methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine (CID 158580646) is methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine is C.C.C.CC(C)CN1CCCC1.CC(C)CN1CCOCC1.COCCN1CCN(CC(C)C)CC1.
What is the InChIKey of methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine?
The InChIKey is HTFFMLQHOIIPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.C8H17NO.C8H17N.3CH4/c1-11(2)10-13-6-4-12(5-7-13)8-9-14-3;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;;;/h11H,4-10H2,1-3H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;3*1H4.
What are the key properties of methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine?
methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine has a molecular weight of 518.92 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 158580646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).