2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine

C13H29N3 — CID 62438498

IUPAC2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)CN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)9-14-10-13(3)11-16-7-5-15(4)6-8-16/h12-14H,5-11H2,1-4H3
InChIKeyIZWVTBSZXWUJEY-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.12
Rot. Bonds6

About 2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine

2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine (PubChem CID 62438498) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine
PubChem CID62438498
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)CN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)9-14-10-13(3)11-16-7-5-15(4)6-8-16/h12-14H,5-11H2,1-4H3
InChIKeyIZWVTBSZXWUJEY-UHFFFAOYSA-N
XLogP1.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63979502
1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylpropyl)guanidine
CID 111070318
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55135059
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
2-methyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]propan-1-amine
CID 62773305
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
iron(6+);(2S)-1-[4-methyl-7-[(2S)-2-oxidopropyl]-1,4,7-triazonan-1-yl]propan-2-olate
CID 153461646
1-[[3-(aziridin-1-yl)-2-methylpropyl]amino]propan-2-one
CID 146258346
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64582008
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine (CID 62438498) is 2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)CN1CCN(C)CC1.
What is the InChIKey of 2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine?
The InChIKey is IZWVTBSZXWUJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)9-14-10-13(3)11-16-7-5-15(4)6-8-16/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine?
2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 62438498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).