6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide

C13H26N2OS — CID 114115988

IUPAC6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide
SMILESCSC1(CNC(=O)C(C)CCCC(C)N)CC1
InChIInChI=1S/C13H26N2OS/c1-10(5-4-6-11(2)14)12(16)15-9-13(17-3)7-8-13/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyPPBMYXCKHFRMSW-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.15
Rot. Bonds8

About 6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide

6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide (PubChem CID 114115988) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide
PubChem CID114115988
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide
SMILESCSC1(CNC(=O)C(C)CCCC(C)N)CC1
InChIInChI=1S/C13H26N2OS/c1-10(5-4-6-11(2)14)12(16)15-9-13(17-3)7-8-13/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyPPBMYXCKHFRMSW-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide?
The IUPAC name of 6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide (CID 114115988) is 6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide is CSC1(CNC(=O)C(C)CCCC(C)N)CC1.
What is the InChIKey of 6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide?
The InChIKey is PPBMYXCKHFRMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-10(5-4-6-11(2)14)12(16)15-9-13(17-3)7-8-13/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide?
6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide has a molecular weight of 258.43 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide is sourced from PubChem (CID 114115988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).