2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide

C11H24N2O2 — CID 116502231

IUPAC2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide
SMILESCCCNC(=O)C(CN)CC(C)COC
InChIInChI=1S/C11H24N2O2/c1-4-5-13-11(14)10(7-12)6-9(2)8-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyXRFWKCSQVMQUPS-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.76
Rot. Bonds8

About 2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide

2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide (PubChem CID 116502231) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide
PubChem CID116502231
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide
SMILESCCCNC(=O)C(CN)CC(C)COC
InChIInChI=1S/C11H24N2O2/c1-4-5-13-11(14)10(7-12)6-9(2)8-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyXRFWKCSQVMQUPS-UHFFFAOYSA-N
XLogP0.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-methyl-N-propylhexanamide
CID 62313782
2-(aminomethyl)-4-ethyl-N-propylhexanamide
CID 62313783
2-(aminomethyl)-5-methoxy-4-methylpentanoic acid;hydrochloride
CID 122163311
2-(aminomethyl)-N,4-dimethylhexanamide
CID 62313426
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
3-(aminomethyl)-4-methoxybutan-2-one
CID 59279706
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide
CID 107471842
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
N-ethyl-2-(2-methoxyethoxy)propanamide
CID 169160574
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
CID 113410027

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide?
The IUPAC name of 2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide (CID 116502231) is 2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide?
The canonical SMILES for 2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide is CCCNC(=O)C(CN)CC(C)COC.
What is the InChIKey of 2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide?
The InChIKey is XRFWKCSQVMQUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-5-13-11(14)10(7-12)6-9(2)8-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide?
2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide has a molecular weight of 216.32 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide is sourced from PubChem (CID 116502231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).