6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide

C14H29N3O2 — CID 119568658

IUPAC6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide
SMILESCCC(CC)(CN)NC(=O)CCCCCNC(C)=O
InChIInChI=1S/C14H29N3O2/c1-4-14(5-2,11-15)17-13(19)9-7-6-8-10-16-12(3)18/h4-11,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPEOPQSATYXSICA-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.32
Rot. Bonds10

About 6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide

6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide (PubChem CID 119568658) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide
PubChem CID119568658
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide
SMILESCCC(CC)(CN)NC(=O)CCCCCNC(C)=O
InChIInChI=1S/C14H29N3O2/c1-4-14(5-2,11-15)17-13(19)9-7-6-8-10-16-12(3)18/h4-11,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPEOPQSATYXSICA-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119570151
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
6-acetamido-N-propylhexanamide
CID 60654879
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide
CID 119569667
6-acetamido-N-ethoxyhexanamide
CID 60717872
5-acetamido-N-ethylpentanamide
CID 145189248
5-acetamido-N-butylpentanamide
CID 123729472
N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 119569676
N-(8-oxononyl)acetamide
CID 58114719
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
CID 119571336

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide?
The IUPAC name of 6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide (CID 119568658) is 6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide?
The canonical SMILES for 6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide is CCC(CC)(CN)NC(=O)CCCCCNC(C)=O.
What is the InChIKey of 6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide?
The InChIKey is PEOPQSATYXSICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-14(5-2,11-15)17-13(19)9-7-6-8-10-16-12(3)18/h4-11,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide?
6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide has a molecular weight of 271.40 g/mol, XLogP of 1.32, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide is sourced from PubChem (CID 119568658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).