(4S)-N,N,4-triethyl-6-methoxyhexan-1-amine

C13H29NO — CID 118889996

IUPAC(4S)-N,N,4-triethyl-6-methoxyhexan-1-amine
SMILESCC[C@@H](CCCN(CC)CC)CCOC
InChIInChI=1S/C13H29NO/c1-5-13(10-12-15-4)9-8-11-14(6-2)7-3/h13H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyHHFADWQIAJVDCL-ZDUSSCGKSA-N
MW215.38 g/mol
LogP3.17
Rot. Bonds10

About (4S)-N,N,4-triethyl-6-methoxyhexan-1-amine

(4S)-N,N,4-triethyl-6-methoxyhexan-1-amine (PubChem CID 118889996) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (4S)-N,N,4-triethyl-6-methoxyhexan-1-amine.

Molecular Properties

Compound Name(4S)-N,N,4-triethyl-6-methoxyhexan-1-amine
PubChem CID118889996
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(4S)-N,N,4-triethyl-6-methoxyhexan-1-amine
SMILESCC[C@@H](CCCN(CC)CC)CCOC
InChIInChI=1S/C13H29NO/c1-5-13(10-12-15-4)9-8-11-14(6-2)7-3/h13H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyHHFADWQIAJVDCL-ZDUSSCGKSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N,N,4-triethyl-6-methoxyhexan-1-amine?
The IUPAC name of (4S)-N,N,4-triethyl-6-methoxyhexan-1-amine (CID 118889996) is (4S)-N,N,4-triethyl-6-methoxyhexan-1-amine.
What is the SMILES notation for (4S)-N,N,4-triethyl-6-methoxyhexan-1-amine?
The canonical SMILES for (4S)-N,N,4-triethyl-6-methoxyhexan-1-amine is CC[C@@H](CCCN(CC)CC)CCOC.
What is the InChIKey of (4S)-N,N,4-triethyl-6-methoxyhexan-1-amine?
The InChIKey is HHFADWQIAJVDCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-13(10-12-15-4)9-8-11-14(6-2)7-3/h13H,5-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (4S)-N,N,4-triethyl-6-methoxyhexan-1-amine?
(4S)-N,N,4-triethyl-6-methoxyhexan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N,4-triethyl-6-methoxyhexan-1-amine is sourced from PubChem (CID 118889996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).