propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate

C12H26N2O2 — CID 106036436

IUPACpropan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
SMILESCC(C)OC(=O)CNCCCN(C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)14(5)8-6-7-13-9-12(15)16-11(3)4/h10-11,13H,6-9H2,1-5H3
InChIKeyHJEOHAFXPWVALA-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.26
Rot. Bonds8

About propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate

propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate (PubChem CID 106036436) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
PubChem CID106036436
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namepropan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
SMILESCC(C)OC(=O)CNCCCN(C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)14(5)8-6-7-13-9-12(15)16-11(3)4/h10-11,13H,6-9H2,1-5H3
InChIKeyHJEOHAFXPWVALA-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]acetamide
CID 106045584
propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate
CID 106336503
propan-2-yl 4-[3-(dimethylamino)propylamino]butanoate
CID 176847229
propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62976857
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
propan-2-yl 2-(2-methylsulfanylethylamino)acetate
CID 63964446
tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
CID 62641218
methyl 2-[3-(dimethylamino)propylamino]acetate
CID 28583744
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
hexan-3-yl 2-[3-(dimethylamino)propylamino]acetate
CID 176847486
methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate
CID 62640130
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate?
The IUPAC name of propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate (CID 106036436) is propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate?
The canonical SMILES for propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate is CC(C)OC(=O)CNCCCN(C)C(C)C.
What is the InChIKey of propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate?
The InChIKey is HJEOHAFXPWVALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)14(5)8-6-7-13-9-12(15)16-11(3)4/h10-11,13H,6-9H2,1-5H3.
What are the key properties of propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate?
propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate has a molecular weight of 230.35 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate is sourced from PubChem (CID 106036436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).