(6-aminohexylamino) 2,2-dimethylpropanoate

C11H24N2O2 — CID 58975914

IUPAC(6-aminohexylamino) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONCCCCCCN
InChIInChI=1S/C11H24N2O2/c1-11(2,3)10(14)15-13-9-7-5-4-6-8-12/h13H,4-9,12H2,1-3H3
InChIKeyIEXKGXSADFOUNP-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.60
Rot. Bonds7

About (6-aminohexylamino) 2,2-dimethylpropanoate

(6-aminohexylamino) 2,2-dimethylpropanoate (PubChem CID 58975914) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (6-aminohexylamino) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(6-aminohexylamino) 2,2-dimethylpropanoate
PubChem CID58975914
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(6-aminohexylamino) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONCCCCCCN
InChIInChI=1S/C11H24N2O2/c1-11(2,3)10(14)15-13-9-7-5-4-6-8-12/h13H,4-9,12H2,1-3H3
InChIKeyIEXKGXSADFOUNP-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-aminohexylamino) 2,2-dimethylpropanoate 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

azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate
CID 174766160
N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine
CID 162514509
ditert-butyl 2-amino-2-[3-[6-(4-aminobutylamino)hexylamino]propyl]propanedioate
CID 19360445
N-(6-aminohexyl)-3-methoxy-3-methylbutanamide
CID 107843909
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
(2,2-difluoroethylamino) 2,2-dimethylpropanoate
CID 174942642
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
CID 18941878
2-bromoacetic acid;tert-butyl N-(6-aminohexyl)carbamate
CID 87525773
tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate
CID 10576339
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631

Frequently Asked Questions

What is the IUPAC name of (6-aminohexylamino) 2,2-dimethylpropanoate?
The IUPAC name of (6-aminohexylamino) 2,2-dimethylpropanoate (CID 58975914) is (6-aminohexylamino) 2,2-dimethylpropanoate.
What is the SMILES notation for (6-aminohexylamino) 2,2-dimethylpropanoate?
The canonical SMILES for (6-aminohexylamino) 2,2-dimethylpropanoate is CC(C)(C)C(=O)ONCCCCCCN.
What is the InChIKey of (6-aminohexylamino) 2,2-dimethylpropanoate?
The InChIKey is IEXKGXSADFOUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2,3)10(14)15-13-9-7-5-4-6-8-12/h13H,4-9,12H2,1-3H3.
What are the key properties of (6-aminohexylamino) 2,2-dimethylpropanoate?
(6-aminohexylamino) 2,2-dimethylpropanoate has a molecular weight of 216.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminohexylamino) 2,2-dimethylpropanoate is sourced from PubChem (CID 58975914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).