2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide

C13H28N2O2 — CID 104551608

IUPAC2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)N(C)C(C)CO
InChIInChI=1S/C13H28N2O2/c1-5-7-13(10-14,8-6-2)12(17)15(4)11(3)9-16/h11,16H,5-10,14H2,1-4H3
InChIKeyBTFSFBMRCDSIPM-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.37
Rot. Bonds8

About 2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide

2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide (PubChem CID 104551608) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide
PubChem CID104551608
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)N(C)C(C)CO
InChIInChI=1S/C13H28N2O2/c1-5-7-13(10-14,8-6-2)12(17)15(4)11(3)9-16/h11,16H,5-10,14H2,1-4H3
InChIKeyBTFSFBMRCDSIPM-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide
CID 104551985
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
2-(aminomethyl)-N-(4-hydroxyphenyl)-N-methyl-2-propylpentanamide
CID 107734103
3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide
CID 104551595
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide
CID 63842809
2,2-diethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
CID 104551496
2-amino-N-(1-hydroxypropan-2-yl)-N-methylhexanamide
CID 104551721
2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide
CID 115432049
2-[carboxymethyl-[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]acetic acid
CID 104553021
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide
CID 104553462

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide (CID 104551608) is 2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide is CCCC(CN)(CCC)C(=O)N(C)C(C)CO.
What is the InChIKey of 2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide?
The InChIKey is BTFSFBMRCDSIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-7-13(10-14,8-6-2)12(17)15(4)11(3)9-16/h11,16H,5-10,14H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide?
2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide is sourced from PubChem (CID 104551608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).