(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide

C10H23N5O2 — CID 11160923

IUPAC(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide
SMILESCNC(=O)[C@@H](N)CCC/N=C(\N)NCCOC
InChIInChI=1S/C10H23N5O2/c1-13-9(16)8(11)4-3-5-14-10(12)15-6-7-17-2/h8H,3-7,11H2,1-2H3,(H,13,16)(H3,12,14,15)/t8-/m0/s1
InChIKeyAXKPLBFWGQUHOR-QMMMGPOBSA-N
MW245.33 g/mol
LogP-1.61
Rot. Bonds8

About (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide

(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide (PubChem CID 11160923) has the molecular formula C10H23N5O2 and a molecular weight of 245.33 g/mol. Its IUPAC name is (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide
PubChem CID11160923
Molecular FormulaC10H23N5O2
Molecular Weight245.33 g/mol
Exact Mass245.19
IUPAC Name(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide
SMILESCNC(=O)[C@@H](N)CCC/N=C(\N)NCCOC
InChIInChI=1S/C10H23N5O2/c1-13-9(16)8(11)4-3-5-14-10(12)15-6-7-17-2/h8H,3-7,11H2,1-2H3,(H,13,16)(H3,12,14,15)/t8-/m0/s1
InChIKeyAXKPLBFWGQUHOR-QMMMGPOBSA-N
XLogP-1.61
TPSA114.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-1.61
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylsulfonylpentanamide
CID 122382582
butyl 2-amino-4-[[amino-(2-methoxyethylamino)methylidene]amino]butanoate
CID 72796651
1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
CID 110925122
propan-2-yl 2-amino-4-[[amino-(2-methoxyethylamino)methylidene]amino]butanoate
CID 73080289
(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide
CID 154445908
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
(2-methoxyphenyl)methyl (2S)-2-amino-4-[[amino-(2-methoxyethylamino)methylidene]amino]butanoate
CID 66999238
2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
2-amino-6-(carbamoylamino)-N-methylhexanamide
CID 137464971
(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
CID 10798159
methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
CID 110930535

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide (CID 11160923) is (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide is CNC(=O)[C@@H](N)CCC/N=C(\N)NCCOC.
What is the InChIKey of (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide?
The InChIKey is AXKPLBFWGQUHOR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H23N5O2/c1-13-9(16)8(11)4-3-5-14-10(12)15-6-7-17-2/h8H,3-7,11H2,1-2H3,(H,13,16)(H3,12,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide?
(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide has a molecular weight of 245.33 g/mol, XLogP of -1.61, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide is sourced from PubChem (CID 11160923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).