N-[3-(aminomethyl)pentan-3-yl]octanamide

C14H30N2O — CID 63767635

IUPACN-[3-(aminomethyl)pentan-3-yl]octanamide
SMILESCCCCCCCC(=O)NC(CC)(CC)CN
InChIInChI=1S/C14H30N2O/c1-4-7-8-9-10-11-13(17)16-14(5-2,6-3)12-15/h4-12,15H2,1-3H3,(H,16,17)
InChIKeyYCDDTMHSLQPBQT-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.98
Rot. Bonds10

About N-[3-(aminomethyl)pentan-3-yl]octanamide

N-[3-(aminomethyl)pentan-3-yl]octanamide (PubChem CID 63767635) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]octanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]octanamide
PubChem CID63767635
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]octanamide
SMILESCCCCCCCC(=O)NC(CC)(CC)CN
InChIInChI=1S/C14H30N2O/c1-4-7-8-9-10-11-13(17)16-14(5-2,6-3)12-15/h4-12,15H2,1-3H3,(H,16,17)
InChIKeyYCDDTMHSLQPBQT-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
6-acetamido-N-[3-(aminomethyl)pentan-3-yl]hexanamide
CID 119568658
N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]dodecanamide;trihydrochloride
CID 24905581
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
CID 81486540
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
(Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadec-8-enamide;trihydrochloride
CID 24905450
[3-(4-aminobutanoyloxy)-2-(4-aminobutanoyloxymethyl)-2-(dodecanoylamino)propyl] 4-aminobutanoate
CID 25270103
N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
CID 119571336

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]octanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]octanamide (CID 63767635) is N-[3-(aminomethyl)pentan-3-yl]octanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]octanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]octanamide is CCCCCCCC(=O)NC(CC)(CC)CN.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]octanamide?
The InChIKey is YCDDTMHSLQPBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-7-8-9-10-11-13(17)16-14(5-2,6-3)12-15/h4-12,15H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]octanamide?
N-[3-(aminomethyl)pentan-3-yl]octanamide has a molecular weight of 242.41 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]octanamide is sourced from PubChem (CID 63767635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).