(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid

C8H19N3O2 — CID 151285535

IUPAC(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
SMILESCN(C)[C@@](N)(CCCCN)C(=O)O
InChIInChI=1S/C8H19N3O2/c1-11(2)8(10,7(12)13)5-3-4-6-9/h3-6,9-10H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyNZHPQNNKCWWCMU-QMMMGPOBSA-N
MW189.26 g/mol
LogP-0.58
Rot. Bonds6

About (2S)-2,6-diamino-2-(dimethylamino)hexanoic acid

(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid (PubChem CID 151285535) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is (2S)-2,6-diamino-2-(dimethylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
PubChem CID151285535
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
SMILESCN(C)[C@@](N)(CCCCN)C(=O)O
InChIInChI=1S/C8H19N3O2/c1-11(2)8(10,7(12)13)5-3-4-6-9/h3-6,9-10H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyNZHPQNNKCWWCMU-QMMMGPOBSA-N
XLogP-0.58
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(dimethylamino)pentanoic acid
CID 87316301
2,6-diamino-2-methylhexanoic acid
CID 3017540
2-amino-2-(dimethylamino)butanoic acid
CID 88610523
2,8-diamino-2-methyloctanoic acid
CID 87814639
(2R)-2-acetyl-2,6-diaminohexanoic acid
CID 22853479
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid
CID 57018880
2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
CID 87233071
2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 19969154
(2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
CID 87200728
6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid
CID 173163481
2,6-diamino-2-[chloro(difluoro)methyl]hexanoic acid
CID 18177525

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-2-(dimethylamino)hexanoic acid?
The IUPAC name of (2S)-2,6-diamino-2-(dimethylamino)hexanoic acid (CID 151285535) is (2S)-2,6-diamino-2-(dimethylamino)hexanoic acid.
What is the SMILES notation for (2S)-2,6-diamino-2-(dimethylamino)hexanoic acid?
The canonical SMILES for (2S)-2,6-diamino-2-(dimethylamino)hexanoic acid is CN(C)[C@@](N)(CCCCN)C(=O)O.
What is the InChIKey of (2S)-2,6-diamino-2-(dimethylamino)hexanoic acid?
The InChIKey is NZHPQNNKCWWCMU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-11(2)8(10,7(12)13)5-3-4-6-9/h3-6,9-10H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2,6-diamino-2-(dimethylamino)hexanoic acid?
(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid has a molecular weight of 189.26 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-2-(dimethylamino)hexanoic acid is sourced from PubChem (CID 151285535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).