N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine

C12H27NO — CID 79196868

IUPACN-ethyl-2-methoxy-2,6-dimethylheptan-3-amine
SMILESCCNC(CCC(C)C)C(C)(C)OC
InChIInChI=1S/C12H27NO/c1-7-13-11(9-8-10(2)3)12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyRTPVNAWAIITOFS-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds7

About N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine

N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine (PubChem CID 79196868) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2,6-dimethylheptan-3-amine
PubChem CID79196868
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-ethyl-2-methoxy-2,6-dimethylheptan-3-amine
SMILESCCNC(CCC(C)C)C(C)(C)OC
InChIInChI=1S/C12H27NO/c1-7-13-11(9-8-10(2)3)12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyRTPVNAWAIITOFS-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine?
The IUPAC name of N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine (CID 79196868) is N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine?
The canonical SMILES for N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine is CCNC(CCC(C)C)C(C)(C)OC.
What is the InChIKey of N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine?
The InChIKey is RTPVNAWAIITOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-13-11(9-8-10(2)3)12(4,5)14-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine?
N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-2,6-dimethylheptan-3-amine is sourced from PubChem (CID 79196868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).