5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine

C12H27NO — CID 116720118

IUPAC5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine
SMILESCCC(CC)C(NC)C(OC)C(C)C
InChIInChI=1S/C12H27NO/c1-7-10(8-2)11(13-5)12(14-6)9(3)4/h9-13H,7-8H2,1-6H3
InChIKeyDTDFRPWRTPTWPR-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds7

About 5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine

5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine (PubChem CID 116720118) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine.

Molecular Properties

Compound Name5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine
PubChem CID116720118
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine
SMILESCCC(CC)C(NC)C(OC)C(C)C
InChIInChI=1S/C12H27NO/c1-7-10(8-2)11(13-5)12(14-6)9(3)4/h9-13H,7-8H2,1-6H3
InChIKeyDTDFRPWRTPTWPR-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine
CID 116719984
8,8,8-trifluoro-3-methoxy-N,2-dimethyloctan-4-amine
CID 116720021
N-ethyl-1,1,1-trifluoro-5-methoxy-6-methylheptan-4-amine
CID 116720275
1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine
CID 116720559
5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine
CID 116721134
5-ethoxy-N-ethyl-1,1,1-trifluoro-6-methylheptan-4-amine
CID 116721414
5-ethoxy-1,1,1-trifluoro-6-methyl-N-propylheptan-4-amine
CID 116721673
1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine
CID 116724453
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
(2S)-1-methoxy-N,4-dimethylpentan-2-amine
CID 13140130
N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium
CID 18339631
N-ethyl-2,4,5-trimethyloxolan-3-amine
CID 18339632

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine?
The IUPAC name of 5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine (CID 116720118) is 5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine.
What is the SMILES notation for 5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine?
The canonical SMILES for 5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine is CCC(CC)C(NC)C(OC)C(C)C.
What is the InChIKey of 5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine?
The InChIKey is DTDFRPWRTPTWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-10(8-2)11(13-5)12(14-6)9(3)4/h9-13H,7-8H2,1-6H3.
What are the key properties of 5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine?
5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine is sourced from PubChem (CID 116720118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).