(2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide

C11H25N3O2 — CID 138644863

IUPAC(2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide
SMILESC[C@@H](CCCCN)C(=O)NCCOCCN
InChIInChI=1S/C11H25N3O2/c1-10(4-2-3-5-12)11(15)14-7-9-16-8-6-13/h10H,2-9,12-13H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyHUGQEAWPSAUOQR-JTQLQIEISA-N
MW231.34 g/mol
LogP-0.16
Rot. Bonds10

About (2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide

(2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide (PubChem CID 138644863) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is (2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide.

Molecular Properties

Compound Name(2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide
PubChem CID138644863
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name(2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide
SMILESC[C@@H](CCCCN)C(=O)NCCOCCN
InChIInChI=1S/C11H25N3O2/c1-10(4-2-3-5-12)11(15)14-7-9-16-8-6-13/h10H,2-9,12-13H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyHUGQEAWPSAUOQR-JTQLQIEISA-N
XLogP-0.16
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide?
The IUPAC name of (2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide (CID 138644863) is (2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide.
What is the SMILES notation for (2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide?
The canonical SMILES for (2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide is C[C@@H](CCCCN)C(=O)NCCOCCN.
What is the InChIKey of (2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide?
The InChIKey is HUGQEAWPSAUOQR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H25N3O2/c1-10(4-2-3-5-12)11(15)14-7-9-16-8-6-13/h10H,2-9,12-13H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide?
(2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide has a molecular weight of 231.34 g/mol, XLogP of -0.16, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylhexanamide is sourced from PubChem (CID 138644863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).