6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide

C13H26N2O2 — CID 113313291

IUPAC6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide
SMILESCCC(CCN)CCC(=O)NCC1(CO)CC1
InChIInChI=1S/C13H26N2O2/c1-2-11(5-8-14)3-4-12(17)15-9-13(10-16)6-7-13/h11,16H,2-10,14H2,1H3,(H,15,17)
InChIKeyMFOGRFCBECXRSS-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds9

About 6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide

6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide (PubChem CID 113313291) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide.

Molecular Properties

Compound Name6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide
PubChem CID113313291
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide
SMILESCCC(CCN)CCC(=O)NCC1(CO)CC1
InChIInChI=1S/C13H26N2O2/c1-2-11(5-8-14)3-4-12(17)15-9-13(10-16)6-7-13/h11,16H,2-10,14H2,1H3,(H,15,17)
InChIKeyMFOGRFCBECXRSS-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81162248
6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101353
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide
CID 115454930
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]hexanamide
CID 82853951
6-amino-4-ethyl-N-[(1-hydroxy-3-methylcyclohexyl)methyl]hexanamide
CID 65120096
3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide
CID 103796646
6-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylhexanamide
CID 114112929
6-amino-4-ethyl-N-(2-hydroxypentyl)hexanamide
CID 113495822
6-amino-4-ethyl-N-(2-methoxypropyl)hexanamide
CID 102694994
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxypentanamide
CID 113382189
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide
CID 65106452

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide?
The IUPAC name of 6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide (CID 113313291) is 6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide.
What is the SMILES notation for 6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide?
The canonical SMILES for 6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide is CCC(CCN)CCC(=O)NCC1(CO)CC1.
What is the InChIKey of 6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide?
The InChIKey is MFOGRFCBECXRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-11(5-8-14)3-4-12(17)15-9-13(10-16)6-7-13/h11,16H,2-10,14H2,1H3,(H,15,17).
What are the key properties of 6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide?
6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide is sourced from PubChem (CID 113313291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).