(2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide

C12H26N4O2 — CID 6408178

IUPAC(2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide
SMILESCN(C)CCCCCNCCCNC(=O)/C=N\O
InChIInChI=1S/C12H26N4O2/c1-16(2)10-5-3-4-7-13-8-6-9-14-12(17)11-15-18/h11,13,18H,3-10H2,1-2H3,(H,14,17)/b15-11-
InChIKeyMZYXDRYPRHHPRB-PTNGSMBKSA-N
MW258.37 g/mol
LogP0.27
Rot. Bonds11

About (2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide

(2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide (PubChem CID 6408178) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is (2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide
PubChem CID6408178
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name(2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide
SMILESCN(C)CCCCCNCCCNC(=O)/C=N\O
InChIInChI=1S/C12H26N4O2/c1-16(2)10-5-3-4-7-13-8-6-9-14-12(17)11-15-18/h11,13,18H,3-10H2,1-2H3,(H,14,17)/b15-11-
InChIKeyMZYXDRYPRHHPRB-PTNGSMBKSA-N
XLogP0.27
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide?
The IUPAC name of (2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide (CID 6408178) is (2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide.
What is the SMILES notation for (2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide?
The canonical SMILES for (2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide is CN(C)CCCCCNCCCNC(=O)/C=N\O.
What is the InChIKey of (2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide?
The InChIKey is MZYXDRYPRHHPRB-PTNGSMBKSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-16(2)10-5-3-4-7-13-8-6-9-14-12(17)11-15-18/h11,13,18H,3-10H2,1-2H3,(H,14,17)/b15-11-.
What are the key properties of (2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide?
(2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide has a molecular weight of 258.37 g/mol, XLogP of 0.27, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[3-[5-(dimethylamino)pentylamino]propyl]-2-hydroxyiminoacetamide is sourced from PubChem (CID 6408178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).