N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide

C13H26N2O2 — CID 119570738

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide
SMILESCCC(CC)(CN)NC(=O)CCC1CCOC1
InChIInChI=1S/C13H26N2O2/c1-3-13(4-2,10-14)15-12(16)6-5-11-7-8-17-9-11/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyJFRXAMYLAVMXJQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide

N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide (PubChem CID 119570738) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide
PubChem CID119570738
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide
SMILESCCC(CC)(CN)NC(=O)CCC1CCOC1
InChIInChI=1S/C13H26N2O2/c1-3-13(4-2,10-14)15-12(16)6-5-11-7-8-17-9-11/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyJFRXAMYLAVMXJQ-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-(oxan-4-yloxy)propanamide;hydrochloride
CID 119570341
N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119642266
4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid
CID 119357318
N-[1-(aminomethyl)cyclopentyl]-3-(oxolan-3-yl)propanamide
CID 119567070
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
4,4-dimethyl-1-(oxan-3-yl)pentan-3-one
CID 107137760
3-[3-(oxolan-3-yl)propanoylamino]propanoic acid
CID 119351070
N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 119260774
N-(1-amino-2-methylpropan-2-yl)-3-cyclopentylpropanamide;hydrochloride
CID 119260499
N-[3-(methylamino)propyl]-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119432420
N-(1-amino-2-methylpropan-2-yl)-3-cyclohexylpropanamide;hydrochloride
CID 119524224

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide (CID 119570738) is N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide is CCC(CC)(CN)NC(=O)CCC1CCOC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide?
The InChIKey is JFRXAMYLAVMXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-13(4-2,10-14)15-12(16)6-5-11-7-8-17-9-11/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide is sourced from PubChem (CID 119570738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).