(6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride

C10H20ClNO — CID 146300999

IUPAC(6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride
SMILESCN[C@@H](C)C(C)(C)CCCC(=O)Cl
InChIInChI=1S/C10H20ClNO/c1-8(12-4)10(2,3)7-5-6-9(11)13/h8,12H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyZRPDAWMGCLYWCN-QMMMGPOBSA-N
MW205.73 g/mol
LogP2.56
Rot. Bonds6

About (6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride

(6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride (PubChem CID 146300999) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is (6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride.

Molecular Properties

Compound Name(6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride
PubChem CID146300999
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name(6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride
SMILESCN[C@@H](C)C(C)(C)CCCC(=O)Cl
InChIInChI=1S/C10H20ClNO/c1-8(12-4)10(2,3)7-5-6-9(11)13/h8,12H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyZRPDAWMGCLYWCN-QMMMGPOBSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride?
The IUPAC name of (6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride (CID 146300999) is (6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride.
What is the SMILES notation for (6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride?
The canonical SMILES for (6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride is CN[C@@H](C)C(C)(C)CCCC(=O)Cl.
What is the InChIKey of (6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride?
The InChIKey is ZRPDAWMGCLYWCN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-8(12-4)10(2,3)7-5-6-9(11)13/h8,12H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride?
(6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride has a molecular weight of 205.73 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride is sourced from PubChem (CID 146300999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).