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

C18H39NO — CID 118887783

IUPAC(6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine
SMILESCCN(CC)CCCCC[C@@H](CCCC(C)(C)C)OC
InChIInChI=1S/C18H39NO/c1-7-19(8-2)16-11-9-10-13-17(20-6)14-12-15-18(3,4)5/h17H,7-16H2,1-6H3/t17-/m0/s1
InChIKeyOJTUGGTZTCGCDX-KRWDZBQOSA-N
MW285.52 g/mol
LogP5.12
Rot. Bonds12

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

(6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine (PubChem CID 118887783) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is (6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine.

Molecular Properties

Compound Name(6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine
PubChem CID118887783
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name(6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine
SMILESCCN(CC)CCCCC[C@@H](CCCC(C)(C)C)OC
InChIInChI=1S/C18H39NO/c1-7-19(8-2)16-11-9-10-13-17(20-6)14-12-15-18(3,4)5/h17H,7-16H2,1-6H3/t17-/m0/s1
InChIKeyOJTUGGTZTCGCDX-KRWDZBQOSA-N
XLogP5.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6R)-6-methoxy-2,2,12-trimethyltridecane
CID 118887775
(2R)-7-(diethylamino)-2-(3,3-dimethylbutyl)heptan-1-ol
CID 118887579
(4S)-4-methoxy-8,8-dimethylnonan-1-ol
CID 118887633
7-(diethylamino)heptan-2-ol
CID 168866586
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine
CID 138647215
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
1-amino-3-[5,5-dimethylhexyl(ethyl)amino]propan-2-ol
CID 58761117
1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine
CID 118887718
1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine
CID 118887652

Frequently Asked Questions

What is the IUPAC name of (6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine?
The IUPAC name of (6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine (CID 118887783) is (6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine.
What is the SMILES notation for (6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine?
The canonical SMILES for (6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine is CCN(CC)CCCCC[C@@H](CCCC(C)(C)C)OC.
What is the InChIKey of (6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine?
The InChIKey is OJTUGGTZTCGCDX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H39NO/c1-7-19(8-2)16-11-9-10-13-17(20-6)14-12-15-18(3,4)5/h17H,7-16H2,1-6H3/t17-/m0/s1.
What are the key properties of (6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine?
(6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine has a molecular weight of 285.52 g/mol, XLogP of 5.12, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine is sourced from PubChem (CID 118887783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).