(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine

C14H31NO — CID 118890299

IUPAC(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
SMILESCC[C@H](CCCCN(CC)CC)CCOC
InChIInChI=1S/C14H31NO/c1-5-14(11-13-16-4)10-8-9-12-15(6-2)7-3/h14H,5-13H2,1-4H3/t14-/m1/s1
InChIKeyPCMBGXZAVHCGDJ-CQSZACIVSA-N
MW229.41 g/mol
LogP3.56
Rot. Bonds11

About (5R)-N,N,5-triethyl-7-methoxyheptan-1-amine

(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine (PubChem CID 118890299) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is (5R)-N,N,5-triethyl-7-methoxyheptan-1-amine.

Molecular Properties

Compound Name(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
PubChem CID118890299
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
SMILESCC[C@H](CCCCN(CC)CC)CCOC
InChIInChI=1S/C14H31NO/c1-5-14(11-13-16-4)10-8-9-12-15(6-2)7-3/h14H,5-13H2,1-4H3/t14-/m1/s1
InChIKeyPCMBGXZAVHCGDJ-CQSZACIVSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.56
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

(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine
CID 118890313
7-(diethylamino)-3-ethylheptan-1-ol
CID 144711867
(3R)-3-ethyl-1-methoxynonane
CID 118890071
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
(3R)-6-(diethylamino)-3-ethylhexan-1-ol
CID 118889911
4-ethyl-1,11-dimethoxyundecane
CID 171750193
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
CID 115714050
N',N',2-triethyl-N-methylpentane-1,5-diamine
CID 142375045
N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine
CID 163532667
N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine
CID 102994441
1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine
CID 118890200
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082

Frequently Asked Questions

What is the IUPAC name of (5R)-N,N,5-triethyl-7-methoxyheptan-1-amine?
The IUPAC name of (5R)-N,N,5-triethyl-7-methoxyheptan-1-amine (CID 118890299) is (5R)-N,N,5-triethyl-7-methoxyheptan-1-amine.
What is the SMILES notation for (5R)-N,N,5-triethyl-7-methoxyheptan-1-amine?
The canonical SMILES for (5R)-N,N,5-triethyl-7-methoxyheptan-1-amine is CC[C@H](CCCCN(CC)CC)CCOC.
What is the InChIKey of (5R)-N,N,5-triethyl-7-methoxyheptan-1-amine?
The InChIKey is PCMBGXZAVHCGDJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-14(11-13-16-4)10-8-9-12-15(6-2)7-3/h14H,5-13H2,1-4H3/t14-/m1/s1.
What are the key properties of (5R)-N,N,5-triethyl-7-methoxyheptan-1-amine?
(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.56, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N,N,5-triethyl-7-methoxyheptan-1-amine is sourced from PubChem (CID 118890299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).