7-amino-6-methyloctanoic acid;chloromethane

C10H22ClNO2 — CID 175463739

IUPAC7-amino-6-methyloctanoic acid;chloromethane
SMILESCC(N)C(C)CCCCC(=O)O.CCl
InChIInChI=1S/C9H19NO2.CH3Cl/c1-7(8(2)10)5-3-4-6-9(11)12;1-2/h7-8H,3-6,10H2,1-2H3,(H,11,12);1H3
InChIKeyBYAANUFNFCBTCD-UHFFFAOYSA-N
MW223.74 g/mol
LogP2.47
Rot. Bonds6

About 7-amino-6-methyloctanoic acid;chloromethane

7-amino-6-methyloctanoic acid;chloromethane (PubChem CID 175463739) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is 7-amino-6-methyloctanoic acid;chloromethane.

Molecular Properties

Compound Name7-amino-6-methyloctanoic acid;chloromethane
PubChem CID175463739
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Name7-amino-6-methyloctanoic acid;chloromethane
SMILESCC(N)C(C)CCCCC(=O)O.CCl
InChIInChI=1S/C9H19NO2.CH3Cl/c1-7(8(2)10)5-3-4-6-9(11)12;1-2/h7-8H,3-6,10H2,1-2H3,(H,11,12);1H3
InChIKeyBYAANUFNFCBTCD-UHFFFAOYSA-N
XLogP2.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S)-6-aminoheptanoic acid
CID 54134193
6,12-diaminoheptadecanedioic acid
CID 23455605
14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
5-aminododecanedioic acid
CID 3835680
9-aminopentadecanoic acid
CID 87304604
7-aminoundecanoic acid
CID 87457372
11-aminotetradecanoic acid
CID 87305919
8-amino-7-formylnonanoic acid
CID 174351588
19-methylheptatriacontanedioic acid
CID 141009772
λ2-plumbane;6-methylheptanoic acid
CID 175289081
gadolinium;tris(6-methylheptanoic acid)
CID 176895771

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-methyloctanoic acid;chloromethane?
The IUPAC name of 7-amino-6-methyloctanoic acid;chloromethane (CID 175463739) is 7-amino-6-methyloctanoic acid;chloromethane.
What is the SMILES notation for 7-amino-6-methyloctanoic acid;chloromethane?
The canonical SMILES for 7-amino-6-methyloctanoic acid;chloromethane is CC(N)C(C)CCCCC(=O)O.CCl.
What is the InChIKey of 7-amino-6-methyloctanoic acid;chloromethane?
The InChIKey is BYAANUFNFCBTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.CH3Cl/c1-7(8(2)10)5-3-4-6-9(11)12;1-2/h7-8H,3-6,10H2,1-2H3,(H,11,12);1H3.
What are the key properties of 7-amino-6-methyloctanoic acid;chloromethane?
7-amino-6-methyloctanoic acid;chloromethane has a molecular weight of 223.74 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-methyloctanoic acid;chloromethane is sourced from PubChem (CID 175463739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).