(2S)-2-amino-6-(2-iminoethylamino)hexanamide

C8H18N4O — CID 87946743

IUPAC(2S)-2-amino-6-(2-iminoethylamino)hexanamide
SMILES[H]/N=C/CNCCCC[C@H](N)C(N)=O
InChIInChI=1S/C8H18N4O/c9-4-6-12-5-2-1-3-7(10)8(11)13/h4,7,9,12H,1-3,5-6,10H2,(H2,11,13)/b9-4+/t7-/m0/s1
InChIKeyWGFAEUUQNUSELX-FGROQZRYSA-N
MW186.26 g/mol
LogP-0.79
Rot. Bonds8

About (2S)-2-amino-6-(2-iminoethylamino)hexanamide

(2S)-2-amino-6-(2-iminoethylamino)hexanamide (PubChem CID 87946743) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is (2S)-2-amino-6-(2-iminoethylamino)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-6-(2-iminoethylamino)hexanamide
PubChem CID87946743
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name(2S)-2-amino-6-(2-iminoethylamino)hexanamide
SMILES[H]/N=C/CNCCCC[C@H](N)C(N)=O
InChIInChI=1S/C8H18N4O/c9-4-6-12-5-2-1-3-7(10)8(11)13/h4,7,9,12H,1-3,5-6,10H2,(H2,11,13)/b9-4+/t7-/m0/s1
InChIKeyWGFAEUUQNUSELX-FGROQZRYSA-N
XLogP-0.79
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-5-(2-iminoethylamino)pentanoic acid
CID 87252221
(2S)-2-amino-6-oxohexanamide
CID 54192853
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
2-aminododecanamide;hydrochloride
CID 14881390
(2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid
CID 175071330
(Z)-2-aminooctadec-9-enamide
CID 56663673
2-amino-3-(butylamino)propanamide
CID 103232681
tert-butyl N-(7,8-diamino-8-oxooctyl)carbamate
CID 87097822
(2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide
CID 172563452
1,3-diamino-8-[(4,6-diamino-5-oxohexyl)amino]octan-2-one
CID 57296683
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784
3-amino-7-(2-oxopropylamino)heptan-2-one
CID 123521063

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(2-iminoethylamino)hexanamide?
The IUPAC name of (2S)-2-amino-6-(2-iminoethylamino)hexanamide (CID 87946743) is (2S)-2-amino-6-(2-iminoethylamino)hexanamide.
What is the SMILES notation for (2S)-2-amino-6-(2-iminoethylamino)hexanamide?
The canonical SMILES for (2S)-2-amino-6-(2-iminoethylamino)hexanamide is [H]/N=C/CNCCCC[C@H](N)C(N)=O.
What is the InChIKey of (2S)-2-amino-6-(2-iminoethylamino)hexanamide?
The InChIKey is WGFAEUUQNUSELX-FGROQZRYSA-N. The full InChI is InChI=1S/C8H18N4O/c9-4-6-12-5-2-1-3-7(10)8(11)13/h4,7,9,12H,1-3,5-6,10H2,(H2,11,13)/b9-4+/t7-/m0/s1.
What are the key properties of (2S)-2-amino-6-(2-iminoethylamino)hexanamide?
(2S)-2-amino-6-(2-iminoethylamino)hexanamide has a molecular weight of 186.26 g/mol, XLogP of -0.79, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(2-iminoethylamino)hexanamide is sourced from PubChem (CID 87946743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).