N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane

C16H29NO — CID 143345049

IUPACN,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane
SMILESCC.CCC1=CC=CC(N(CC)CCOC)C=C1
InChIInChI=1S/C14H23NO.C2H6/c1-4-13-7-6-8-14(10-9-13)15(5-2)11-12-16-3;1-2/h6-10,14H,4-5,11-12H2,1-3H3;1-2H3
InChIKeyBSGTYVCZMSISCF-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds6

About N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane

N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane (PubChem CID 143345049) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane.

Molecular Properties

Compound NameN,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane
PubChem CID143345049
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane
SMILESCC.CCC1=CC=CC(N(CC)CCOC)C=C1
InChIInChI=1S/C14H23NO.C2H6/c1-4-13-7-6-8-14(10-9-13)15(5-2)11-12-16-3;1-2/h6-10,14H,4-5,11-12H2,1-3H3;1-2H3
InChIKeyBSGTYVCZMSISCF-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane?
The IUPAC name of N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane (CID 143345049) is N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane.
What is the SMILES notation for N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane?
The canonical SMILES for N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane is CC.CCC1=CC=CC(N(CC)CCOC)C=C1.
What is the InChIKey of N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane?
The InChIKey is BSGTYVCZMSISCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C2H6/c1-4-13-7-6-8-14(10-9-13)15(5-2)11-12-16-3;1-2/h6-10,14H,4-5,11-12H2,1-3H3;1-2H3.
What are the key properties of N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane?
N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane has a molecular weight of 251.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-(2-methoxyethyl)cyclohepta-2,4,6-trien-1-amine;ethane is sourced from PubChem (CID 143345049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).