1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane

C13H30N2 — CID 145236948

IUPAC1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
SMILESCC.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C11H24N2.C2H6/c1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-2/h5-10H2,1-4H3;1-2H3
InChIKeyZOCYHWYIIBEOET-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.70
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane

1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane (PubChem CID 145236948) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
PubChem CID145236948
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
SMILESCC.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C11H24N2.C2H6/c1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-2/h5-10H2,1-4H3;1-2H3
InChIKeyZOCYHWYIIBEOET-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 145006572
1-(3,3-dimethylbutyl)azocane
CID 166986973
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
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine
CID 139545699
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine
CID 129258640
4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one
CID 58171906
N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
CID 126654304
4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide
CID 68641609
1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine
CID 118887650
1-(3,3-dimethylnonyl)-4-methylpiperazine
CID 130279458

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane (CID 145236948) is 1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane is CC.CN1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane?
The InChIKey is ZOCYHWYIIBEOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C2H6/c1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-2/h5-10H2,1-4H3;1-2H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane?
1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane has a molecular weight of 214.40 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane is sourced from PubChem (CID 145236948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).