N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide

C18H39N3O — CID 58435545

IUPACN-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
SMILESCCCCCCNCCCCCNCCCCCNC(C)=O
InChIInChI=1S/C18H39N3O/c1-3-4-5-8-13-19-14-9-6-10-15-20-16-11-7-12-17-21-18(2)22/h19-20H,3-17H2,1-2H3,(H,21,22)
InChIKeyKIXUYQWYNKYPLS-UHFFFAOYSA-N
MW313.53 g/mol
LogP3.22
Rot. Bonds17

About N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide

N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide (PubChem CID 58435545) has the molecular formula C18H39N3O and a molecular weight of 313.53 g/mol. Its IUPAC name is N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
PubChem CID58435545
Molecular FormulaC18H39N3O
Molecular Weight313.53 g/mol
Exact Mass313.31
IUPAC NameN-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
SMILESCCCCCCNCCCCCNCCCCCNC(C)=O
InChIInChI=1S/C18H39N3O/c1-3-4-5-8-13-19-14-9-6-10-15-20-16-11-7-12-17-21-18(2)22/h19-20H,3-17H2,1-2H3,(H,21,22)
InChIKeyKIXUYQWYNKYPLS-UHFFFAOYSA-N
XLogP3.22
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide 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-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
carbonic acid;N-hexylhexan-1-amine
CID 174995198
N-butylacetamide;molecular hydrogen
CID 142252069
N-(4-oxotetradecyl)acetamide
CID 164678896
3-(hexylamino)-N-tetradecylpropanamide
CID 58105395
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
N-hexyltridecan-1-amine
CID 87659278
N,N'-diheptylhexane-1,6-diamine
CID 3028571
octane;N-octylnonan-1-amine
CID 145152206

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide?
The IUPAC name of N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide (CID 58435545) is N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide.
What is the SMILES notation for N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide?
The canonical SMILES for N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide is CCCCCCNCCCCCNCCCCCNC(C)=O.
What is the InChIKey of N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide?
The InChIKey is KIXUYQWYNKYPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3O/c1-3-4-5-8-13-19-14-9-6-10-15-20-16-11-7-12-17-21-18(2)22/h19-20H,3-17H2,1-2H3,(H,21,22).
What are the key properties of N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide?
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide has a molecular weight of 313.53 g/mol, XLogP of 3.22, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide is sourced from PubChem (CID 58435545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).