2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid

C10H21N3O2 — CID 162252165

IUPAC2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)CCC(CN=C(N)N)C(=O)O
InChIInChI=1S/C10H21N3O2/c1-10(2,3)5-4-7(8(14)15)6-13-9(11)12/h7H,4-6H2,1-3H3,(H,14,15)(H4,11,12,13)
InChIKeyWJORYEKLNCSXPM-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.79
Rot. Bonds5

About 2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid

2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid (PubChem CID 162252165) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid
PubChem CID162252165
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)CCC(CN=C(N)N)C(=O)O
InChIInChI=1S/C10H21N3O2/c1-10(2,3)5-4-7(8(14)15)6-13-9(11)12/h7H,4-6H2,1-3H3,(H,14,15)(H4,11,12,13)
InChIKeyWJORYEKLNCSXPM-UHFFFAOYSA-N
XLogP0.79
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(diaminomethylideneamino)methyl]tridecanoic acid
CID 87851265
2-[(diaminomethylideneamino)methyl]nonadecanoic acid
CID 87851261
2-(3,3-dimethylbutyl)butanedioic acid
CID 87993022
(2S)-2-amino-4-[(diaminomethylideneamino)methyl]-5-oxohexanoic acid
CID 87499595
barium(2+);2-(3,3-dimethylbutyl)propanedioic acid;hydride
CID 174968731
2-acetyl-5,5-dimethylhexanoic acid
CID 57063936
2,3,6,6-tetramethylheptanoic acid
CID 81009492
5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid
CID 147314625
3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine
CID 160941583
2-(aminomethyl)-5,5-dimethylheptanoic acid
CID 87760218
2-(2-propylpentyl)guanidine
CID 174332322
2-(2-tert-butyl-4,4-dimethylpentyl)guanidine
CID 90242870

Frequently Asked Questions

What is the IUPAC name of 2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid?
The IUPAC name of 2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid (CID 162252165) is 2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid?
The canonical SMILES for 2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid is CC(C)(C)CCC(CN=C(N)N)C(=O)O.
What is the InChIKey of 2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid?
The InChIKey is WJORYEKLNCSXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2,3)5-4-7(8(14)15)6-13-9(11)12/h7H,4-6H2,1-3H3,(H,14,15)(H4,11,12,13).
What are the key properties of 2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid?
2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid has a molecular weight of 215.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(diaminomethylideneamino)methyl]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 162252165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).