N,3-diethyl-5-methoxyheptan-4-amine

C12H27NO — CID 116715851

IUPACN,3-diethyl-5-methoxyheptan-4-amine
SMILESCCNC(C(CC)CC)C(CC)OC
InChIInChI=1S/C12H27NO/c1-6-10(7-2)12(13-9-4)11(8-3)14-5/h10-13H,6-9H2,1-5H3
InChIKeyQPFOLMMKSKDCRY-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds8

About N,3-diethyl-5-methoxyheptan-4-amine

N,3-diethyl-5-methoxyheptan-4-amine (PubChem CID 116715851) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N,3-diethyl-5-methoxyheptan-4-amine.

Molecular Properties

Compound NameN,3-diethyl-5-methoxyheptan-4-amine
PubChem CID116715851
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN,3-diethyl-5-methoxyheptan-4-amine
SMILESCCNC(C(CC)CC)C(CC)OC
InChIInChI=1S/C12H27NO/c1-6-10(7-2)12(13-9-4)11(8-3)14-5/h10-13H,6-9H2,1-5H3
InChIKeyQPFOLMMKSKDCRY-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

N-ethyl-3-methyl-1-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 80447222
3-methyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 80447317
5-ethoxy-1,1,1-trifluoro-5-methyl-N-propylheptan-4-amine
CID 113561385
1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine
CID 116719984
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
N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine
CID 116757946
1,1,1-trifluoro-5-methoxy-5-methyl-N-propylheptan-4-amine
CID 116758225
5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine
CID 116759082

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5-methoxyheptan-4-amine?
The IUPAC name of N,3-diethyl-5-methoxyheptan-4-amine (CID 116715851) is N,3-diethyl-5-methoxyheptan-4-amine.
What is the SMILES notation for N,3-diethyl-5-methoxyheptan-4-amine?
The canonical SMILES for N,3-diethyl-5-methoxyheptan-4-amine is CCNC(C(CC)CC)C(CC)OC.
What is the InChIKey of N,3-diethyl-5-methoxyheptan-4-amine?
The InChIKey is QPFOLMMKSKDCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-10(7-2)12(13-9-4)11(8-3)14-5/h10-13H,6-9H2,1-5H3.
What are the key properties of N,3-diethyl-5-methoxyheptan-4-amine?
N,3-diethyl-5-methoxyheptan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-5-methoxyheptan-4-amine is sourced from PubChem (CID 116715851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).