N-ethyl-5-methoxy-2-methylheptan-4-amine

C11H25NO — CID 116715625

IUPACN-ethyl-5-methoxy-2-methylheptan-4-amine
SMILESCCNC(CC(C)C)C(CC)OC
InChIInChI=1S/C11H25NO/c1-6-11(13-5)10(12-7-2)8-9(3)4/h9-12H,6-8H2,1-5H3
InChIKeyKPWPXRJGXLPQKW-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds7

About N-ethyl-5-methoxy-2-methylheptan-4-amine

N-ethyl-5-methoxy-2-methylheptan-4-amine (PubChem CID 116715625) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-ethyl-5-methoxy-2-methylheptan-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-2-methylheptan-4-amine
PubChem CID116715625
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-ethyl-5-methoxy-2-methylheptan-4-amine
SMILESCCNC(CC(C)C)C(CC)OC
InChIInChI=1S/C11H25NO/c1-6-11(13-5)10(12-7-2)8-9(3)4/h9-12H,6-8H2,1-5H3
InChIKeyKPWPXRJGXLPQKW-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-ethyl-8,8,8-trifluoro-2-methyloctan-4-amine
CID 113556747
1,1,1-trifluoro-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
CID 113557211
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
N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine
CID 116720311
1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine
CID 116720559
8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine
CID 116720594
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
3-ethoxy-8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 116721701

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-2-methylheptan-4-amine?
The IUPAC name of N-ethyl-5-methoxy-2-methylheptan-4-amine (CID 116715625) is N-ethyl-5-methoxy-2-methylheptan-4-amine.
What is the SMILES notation for N-ethyl-5-methoxy-2-methylheptan-4-amine?
The canonical SMILES for N-ethyl-5-methoxy-2-methylheptan-4-amine is CCNC(CC(C)C)C(CC)OC.
What is the InChIKey of N-ethyl-5-methoxy-2-methylheptan-4-amine?
The InChIKey is KPWPXRJGXLPQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-11(13-5)10(12-7-2)8-9(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of N-ethyl-5-methoxy-2-methylheptan-4-amine?
N-ethyl-5-methoxy-2-methylheptan-4-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-2-methylheptan-4-amine is sourced from PubChem (CID 116715625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).