(6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine

C19H41NO — CID 118887784

IUPAC(6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine
SMILESCO[C@@H](CCCCCNCC(C)(C)C)CCCC(C)(C)C
InChIInChI=1S/C19H41NO/c1-18(2,3)14-11-13-17(21-7)12-9-8-10-15-20-16-19(4,5)6/h17,20H,8-16H2,1-7H3/t17-/m0/s1
InChIKeyAZESZJZHQAODFH-KRWDZBQOSA-N
MW299.54 g/mol
LogP5.41
Rot. Bonds11

About (6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine

(6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine (PubChem CID 118887784) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is (6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine.

Molecular Properties

Compound Name(6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine
PubChem CID118887784
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name(6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine
SMILESCO[C@@H](CCCCCNCC(C)(C)C)CCCC(C)(C)C
InChIInChI=1S/C19H41NO/c1-18(2,3)14-11-13-17(21-7)12-9-8-10-15-20-16-19(4,5)6/h17,20H,8-16H2,1-7H3/t17-/m0/s1
InChIKeyAZESZJZHQAODFH-KRWDZBQOSA-N
XLogP5.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine?
The IUPAC name of (6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine (CID 118887784) is (6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine.
What is the SMILES notation for (6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine?
The canonical SMILES for (6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine is CO[C@@H](CCCCCNCC(C)(C)C)CCCC(C)(C)C.
What is the InChIKey of (6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine?
The InChIKey is AZESZJZHQAODFH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H41NO/c1-18(2,3)14-11-13-17(21-7)12-9-8-10-15-20-16-19(4,5)6/h17,20H,8-16H2,1-7H3/t17-/m0/s1.
What are the key properties of (6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine?
(6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine has a molecular weight of 299.54 g/mol, XLogP of 5.41, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine is sourced from PubChem (CID 118887784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).