N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide

C13H28N2O2 — CID 106116087

IUPACN-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide
SMILESCCCC(CCN)CNC(=O)CC(C)COC
InChIInChI=1S/C13H28N2O2/c1-4-5-12(6-7-14)9-15-13(16)8-11(2)10-17-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyYEURQKGNAKTNAV-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.54
Rot. Bonds10

About N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide

N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide (PubChem CID 106116087) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide
PubChem CID106116087
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide
SMILESCCCC(CCN)CNC(=O)CC(C)COC
InChIInChI=1S/C13H28N2O2/c1-4-5-12(6-7-14)9-15-13(16)8-11(2)10-17-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyYEURQKGNAKTNAV-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116272
N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
CID 106116164
N-(4-amino-1-methoxybutan-2-yl)-4-methoxy-3-methylbutanamide
CID 106152366
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide
CID 106164776
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbutanamide;yttrium
CID 58776208
N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide
CID 106356788
N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
CID 119998014
N-[2-(2-aminoethyl)pentyl]-2,2-dimethylpropanamide
CID 106116137
3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea
CID 106116295
N-(2-amino-2-ethylbutyl)-4-methoxy-3-methylbutanamide
CID 81482511
N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide
CID 106140831
N-[2-(2-aminoethyl)pentyl]-2-cyclopentylacetamide
CID 106116170

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide (CID 106116087) is N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide is CCCC(CCN)CNC(=O)CC(C)COC.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide?
The InChIKey is YEURQKGNAKTNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-5-12(6-7-14)9-15-13(16)8-11(2)10-17-3/h11-12H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide?
N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 106116087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).