5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine

C14H31NO — CID 116761321

IUPAC5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine
SMILESCCCNC(CC(C)C)C(CC)(CC)OC
InChIInChI=1S/C14H31NO/c1-7-10-15-13(11-12(4)5)14(8-2,9-3)16-6/h12-13,15H,7-11H2,1-6H3
InChIKeyVJUYLSSCZYZIQA-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds9

About 5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine

5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine (PubChem CID 116761321) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine
PubChem CID116761321
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine
SMILESCCCNC(CC(C)C)C(CC)(CC)OC
InChIInChI=1S/C14H31NO/c1-7-10-15-13(11-12(4)5)14(8-2,9-3)16-6/h12-13,15H,7-11H2,1-6H3
InChIKeyVJUYLSSCZYZIQA-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine
CID 116761328
3-methoxy-3,6-dimethyl-N-propylnonan-4-amine
CID 116758239
3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116761381
2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
CID 79198397
3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
CID 114348390
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
CID 63417732
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 116761345
3-methoxy-3-methyl-N-propyldecan-4-amine
CID 116758213
3-methoxy-3-methyl-N-propyldodecan-4-amine
CID 116758147
1,3-diethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760303
N,3-diethyl-3-methoxytridecan-4-amine
CID 116761089

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine?
The IUPAC name of 5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine (CID 116761321) is 5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine.
What is the SMILES notation for 5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine?
The canonical SMILES for 5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine is CCCNC(CC(C)C)C(CC)(CC)OC.
What is the InChIKey of 5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine?
The InChIKey is VJUYLSSCZYZIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-7-10-15-13(11-12(4)5)14(8-2,9-3)16-6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine?
5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine is sourced from PubChem (CID 116761321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).