tert-butyl 2,6-bis(methylamino)hexanoate

C12H26N2O2 — CID 59397454

IUPACtert-butyl 2,6-bis(methylamino)hexanoate
SMILESCNCCCCC(NC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-12(2,3)16-11(15)10(14-5)8-6-7-9-13-4/h10,13-14H,6-9H2,1-5H3
InChIKeyNQIJEEQBEAYMNO-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.31
Rot. Bonds7

About tert-butyl 2,6-bis(methylamino)hexanoate

tert-butyl 2,6-bis(methylamino)hexanoate (PubChem CID 59397454) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl 2,6-bis(methylamino)hexanoate.

Molecular Properties

Compound Nametert-butyl 2,6-bis(methylamino)hexanoate
PubChem CID59397454
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl 2,6-bis(methylamino)hexanoate
SMILESCNCCCCC(NC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-12(2,3)16-11(15)10(14-5)8-6-7-9-13-4/h10,13-14H,6-9H2,1-5H3
InChIKeyNQIJEEQBEAYMNO-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 2,6-bis(methylamino)hexanoate 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

tert-butyl 2-methyl-5-(methylamino)pentanoate
CID 174255913
methyl (2S)-2-(methylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 122173697
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
tert-butyl N-[1-amino-6-(methylamino)-1-oxohexan-2-yl]carbamate;ethane
CID 145013011
tert-butyl 2,3-bis(methylamino)propanoate
CID 87548919
amino 2,6-bis(methylamino)hexanoate;cyclohexane
CID 123196847
(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58427308
tert-butyl 2-(decylamino)decanoate
CID 151255865
tert-butyl (2S)-2-(methylamino)-6-(phenacylamino)hexanoate
CID 71275657
tert-butyl N-[(2S)-1,6-bis(methylamino)-1-oxohexan-2-yl]carbamate
CID 11097723
tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate
CID 142791609
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-bis(methylamino)hexanoate?
The IUPAC name of tert-butyl 2,6-bis(methylamino)hexanoate (CID 59397454) is tert-butyl 2,6-bis(methylamino)hexanoate.
What is the SMILES notation for tert-butyl 2,6-bis(methylamino)hexanoate?
The canonical SMILES for tert-butyl 2,6-bis(methylamino)hexanoate is CNCCCCC(NC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,6-bis(methylamino)hexanoate?
The InChIKey is NQIJEEQBEAYMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(2,3)16-11(15)10(14-5)8-6-7-9-13-4/h10,13-14H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2,6-bis(methylamino)hexanoate?
tert-butyl 2,6-bis(methylamino)hexanoate has a molecular weight of 230.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-bis(methylamino)hexanoate is sourced from PubChem (CID 59397454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).