N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide

C13H29N5O2 — CID 171151800

IUPACN-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
SMILESCN(C)CCCNCCCNCCCNC(=O)C=NO
InChIInChI=1S/C13H29N5O2/c1-18(2)11-5-9-15-7-3-6-14-8-4-10-16-13(19)12-17-20/h12,14-15,20H,3-11H2,1-2H3,(H,16,19)
InChIKeyQHQKUPYSIJPWQD-UHFFFAOYSA-N
MW287.41 g/mol
LogP-0.53
Rot. Bonds13

About N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide

N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide (PubChem CID 171151800) has the molecular formula C13H29N5O2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound NameN-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
PubChem CID171151800
Molecular FormulaC13H29N5O2
Molecular Weight287.41 g/mol
Exact Mass287.23
IUPAC NameN-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
SMILESCN(C)CCCNCCCNCCCNC(=O)C=NO
InChIInChI=1S/C13H29N5O2/c1-18(2)11-5-9-15-7-3-6-14-8-4-10-16-13(19)12-17-20/h12,14-15,20H,3-11H2,1-2H3,(H,16,19)
InChIKeyQHQKUPYSIJPWQD-UHFFFAOYSA-N
XLogP-0.53
TPSA88.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
CID 11958871
N-[10-(dimethylamino)decyl]-2-hydroxyiminoacetamide
CID 6614497
(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride
CID 163331599
(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide
CID 73254220
(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
CID 51713838
N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide
CID 71395833
(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide
CID 6407354
N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
CID 6806051
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium
CID 6866633
10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium
CID 7349371
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide?
The IUPAC name of N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide (CID 171151800) is N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide.
What is the SMILES notation for N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide?
The canonical SMILES for N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide is CN(C)CCCNCCCNCCCNC(=O)C=NO.
What is the InChIKey of N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide?
The InChIKey is QHQKUPYSIJPWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O2/c1-18(2)11-5-9-15-7-3-6-14-8-4-10-16-13(19)12-17-20/h12,14-15,20H,3-11H2,1-2H3,(H,16,19).
What are the key properties of N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide?
N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide has a molecular weight of 287.41 g/mol, XLogP of -0.53, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide is sourced from PubChem (CID 171151800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).