4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide

C14H30N2O2S — CID 106247749

IUPAC4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
SMILESCCCC(CCN)CCC(=O)NCC(C)(O)CSC
InChIInChI=1S/C14H30N2O2S/c1-4-5-12(8-9-15)6-7-13(17)16-10-14(2,18)11-19-3/h12,18H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyPFOSKDIDLXYVMW-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.76
Rot. Bonds11

About 4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide

4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide (PubChem CID 106247749) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
PubChem CID106247749
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
SMILESCCCC(CCN)CCC(=O)NCC(C)(O)CSC
InChIInChI=1S/C14H30N2O2S/c1-4-5-12(8-9-15)6-7-13(17)16-10-14(2,18)11-19-3/h12,18H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyPFOSKDIDLXYVMW-UHFFFAOYSA-N
XLogP1.76
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
CID 114942376
6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide
CID 65106452
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
6-amino-4-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 106254569
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
CID 103522092
3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247798
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912
4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide
CID 106176097
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide
CID 106741506
(2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide
CID 106247694
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
CID 106247589

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide (CID 106247749) is 4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide is CCCC(CCN)CCC(=O)NCC(C)(O)CSC.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide?
The InChIKey is PFOSKDIDLXYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-4-5-12(8-9-15)6-7-13(17)16-10-14(2,18)11-19-3/h12,18H,4-11,15H2,1-3H3,(H,16,17).
What are the key properties of 4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide?
4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide has a molecular weight of 290.47 g/mol, XLogP of 1.76, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide is sourced from PubChem (CID 106247749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).