N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine

C13H29NO2 — CID 114857105

IUPACN-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine
SMILESCCNC(CCCOC)C(OC)C(C)(C)C
InChIInChI=1S/C13H29NO2/c1-7-14-11(9-8-10-15-5)12(16-6)13(2,3)4/h11-12,14H,7-10H2,1-6H3
InChIKeyYXHSQIDBDOTUGA-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds8

About N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine

N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine (PubChem CID 114857105) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine
PubChem CID114857105
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine
SMILESCCNC(CCCOC)C(OC)C(C)(C)C
InChIInChI=1S/C13H29NO2/c1-7-14-11(9-8-10-15-5)12(16-6)13(2,3)4/h11-12,14H,7-10H2,1-6H3
InChIKeyYXHSQIDBDOTUGA-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine
CID 105054759
1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
CID 116725019
N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine
CID 103029407
1,3-dimethoxy-N,4,4-trimethylpentan-2-amine
CID 116724510
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724680
(3-methoxy-2,2-dimethylnon-8-en-4-yl)hydrazine
CID 105273329
3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
CID 116725818
3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
CID 116725712
N-ethyl-2-(3-methoxypropylsulfanyl)pentan-3-amine
CID 64627059
1-ethoxy-N,5-diethylheptan-4-amine
CID 105168474
N-ethyl-1-methoxypentadecan-4-amine
CID 105055072

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine?
The IUPAC name of N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine (CID 114857105) is N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine.
What is the SMILES notation for N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine?
The canonical SMILES for N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine is CCNC(CCCOC)C(OC)C(C)(C)C.
What is the InChIKey of N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine?
The InChIKey is YXHSQIDBDOTUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-7-14-11(9-8-10-15-5)12(16-6)13(2,3)4/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine?
N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine is sourced from PubChem (CID 114857105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).