4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine

C15H31NO — CID 65088356

IUPAC4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
SMILESCCC1CCCC(NC(COC)C(C)C)CC1
InChIInChI=1S/C15H31NO/c1-5-13-7-6-8-14(10-9-13)16-15(11-17-4)12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyWOGGDUMAIQCRHJ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds6

About 4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine

4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine (PubChem CID 65088356) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
PubChem CID65088356
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
SMILESCCC1CCCC(NC(COC)C(C)C)CC1
InChIInChI=1S/C15H31NO/c1-5-13-7-6-8-14(10-9-13)16-15(11-17-4)12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyWOGGDUMAIQCRHJ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cyclopentan-1-amine
CID 65047589
4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
CID 65089987
N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine
CID 65075295
N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine
CID 65047718
N-(1-cyclohexylethyl)-4-ethylcycloheptan-1-amine
CID 65083125
3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115656026
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine
CID 115728275
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157
N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine
CID 103271735
2-[(3-ethylcyclopentyl)amino]-3-methylpentan-1-ol
CID 115891675

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine (CID 65088356) is 4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine is CCC1CCCC(NC(COC)C(C)C)CC1.
What is the InChIKey of 4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine?
The InChIKey is WOGGDUMAIQCRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-13-7-6-8-14(10-9-13)16-15(11-17-4)12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of 4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine?
4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65088356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).