2-[3-(aminomethyl)pentan-3-yloxy]butanamide

C10H22N2O2 — CID 65051294

IUPAC2-[3-(aminomethyl)pentan-3-yloxy]butanamide
SMILESCCC(OC(CC)(CC)CN)C(N)=O
InChIInChI=1S/C10H22N2O2/c1-4-8(9(12)13)14-10(5-2,6-3)7-11/h8H,4-7,11H2,1-3H3,(H2,12,13)
InChIKeyYRNLOGROZDMDJD-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.78
Rot. Bonds7

About 2-[3-(aminomethyl)pentan-3-yloxy]butanamide

2-[3-(aminomethyl)pentan-3-yloxy]butanamide (PubChem CID 65051294) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yloxy]butanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yloxy]butanamide
PubChem CID65051294
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[3-(aminomethyl)pentan-3-yloxy]butanamide
SMILESCCC(OC(CC)(CC)CN)C(N)=O
InChIInChI=1S/C10H22N2O2/c1-4-8(9(12)13)14-10(5-2,6-3)7-11/h8H,4-7,11H2,1-3H3,(H2,12,13)
InChIKeyYRNLOGROZDMDJD-UHFFFAOYSA-N
XLogP0.78
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-(aminomethyl)pentan-3-yloxy]butanoate
CID 65051300
2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid
CID 65053739
2-(1,1,1-trifluoropropan-2-yloxy)butanamide
CID 66274618
2-(2-methoxyethoxy)butanamide
CID 62900293
2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide
CID 65050972
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
2-(2,2-difluoroethoxy)butanamide
CID 82006448
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
2-(3-methoxypropoxy)butanamide
CID 62899538
2-ethyl-2-(2-methylbutoxy)butan-1-amine
CID 65051236
2-ethoxy-2-ethylbutan-1-amine
CID 65051068
(2S)-2-bromobutanamide
CID 51414846

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]butanamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]butanamide (CID 65051294) is 2-[3-(aminomethyl)pentan-3-yloxy]butanamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yloxy]butanamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yloxy]butanamide is CCC(OC(CC)(CC)CN)C(N)=O.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yloxy]butanamide?
The InChIKey is YRNLOGROZDMDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-8(9(12)13)14-10(5-2,6-3)7-11/h8H,4-7,11H2,1-3H3,(H2,12,13).
What are the key properties of 2-[3-(aminomethyl)pentan-3-yloxy]butanamide?
2-[3-(aminomethyl)pentan-3-yloxy]butanamide has a molecular weight of 202.30 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-yloxy]butanamide is sourced from PubChem (CID 65051294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).