1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine

C15H31NO — CID 116717006

IUPAC1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(C1CCCCCC1)C(CC)OCC
InChIInChI=1S/C15H31NO/c1-4-14(17-6-3)15(16-5-2)13-11-9-7-8-10-12-13/h13-16H,4-12H2,1-3H3
InChIKeyAQDVZJMYLBCOKP-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds7

About 1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine

1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine (PubChem CID 116717006) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine
PubChem CID116717006
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(C1CCCCCC1)C(CC)OCC
InChIInChI=1S/C15H31NO/c1-4-14(17-6-3)15(16-5-2)13-11-9-7-8-10-12-13/h13-16H,4-12H2,1-3H3
InChIKeyAQDVZJMYLBCOKP-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-ethoxy-N-ethylpentan-2-amine
CID 116717017
1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
CID 116718387
2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116716937
1-cyclohexyl-2-cyclopropyl-N-ethylpropan-1-amine
CID 114981084
1-cyclopropyl-2,2-diethoxy-N-ethylethanamine
CID 79494929
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725873
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
1-cyclopentyl-2-ethoxybutan-1-amine
CID 116716463
1-cyclopentyl-2-methoxy-N-propylbutan-1-amine
CID 116716165
[2-ethoxy-1-(4-methylcyclohexyl)butyl]hydrazine
CID 105271103
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine?
The IUPAC name of 1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine (CID 116717006) is 1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine.
What is the SMILES notation for 1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine?
The canonical SMILES for 1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine is CCNC(C1CCCCCC1)C(CC)OCC.
What is the InChIKey of 1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine?
The InChIKey is AQDVZJMYLBCOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-14(17-6-3)15(16-5-2)13-11-9-7-8-10-12-13/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine?
1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine is sourced from PubChem (CID 116717006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).