N'-hydroxy-3-(7-methyloctylamino)pentanimidamide

C14H31N3O — CID 114004141

IUPACN'-hydroxy-3-(7-methyloctylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NCCCCCCC(C)C
InChIInChI=1S/C14H31N3O/c1-4-13(11-14(15)17-18)16-10-8-6-5-7-9-12(2)3/h12-13,16,18H,4-11H2,1-3H3,(H2,15,17)
InChIKeyCINJIQRVIHABQT-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.10
Rot. Bonds11

About N'-hydroxy-3-(7-methyloctylamino)pentanimidamide

N'-hydroxy-3-(7-methyloctylamino)pentanimidamide (PubChem CID 114004141) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N'-hydroxy-3-(7-methyloctylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(7-methyloctylamino)pentanimidamide
PubChem CID114004141
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN'-hydroxy-3-(7-methyloctylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NCCCCCCC(C)C
InChIInChI=1S/C14H31N3O/c1-4-13(11-14(15)17-18)16-10-8-6-5-7-9-12(2)3/h12-13,16,18H,4-11H2,1-3H3,(H2,15,17)
InChIKeyCINJIQRVIHABQT-UHFFFAOYSA-N
XLogP3.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-(7-methyloctylamino)pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-(5-methylhexylamino)pentanimidamide
CID 115325880
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
CID 77029774
N'-hydroxy-3-(3-methylsulfanylpropylamino)pentanimidamide
CID 77029932
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide
CID 106034084
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742
N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
CID 77026159
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
3-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026652
3-(7-methyloctylamino)pentanenitrile
CID 107815048
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(7-methyloctylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(7-methyloctylamino)pentanimidamide (CID 114004141) is N'-hydroxy-3-(7-methyloctylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(7-methyloctylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(7-methyloctylamino)pentanimidamide is CCC(CC(N)=NO)NCCCCCCC(C)C.
What is the InChIKey of N'-hydroxy-3-(7-methyloctylamino)pentanimidamide?
The InChIKey is CINJIQRVIHABQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-13(11-14(15)17-18)16-10-8-6-5-7-9-12(2)3/h12-13,16,18H,4-11H2,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-(7-methyloctylamino)pentanimidamide?
N'-hydroxy-3-(7-methyloctylamino)pentanimidamide has a molecular weight of 257.42 g/mol, XLogP of 3.10, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(7-methyloctylamino)pentanimidamide is sourced from PubChem (CID 114004141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).