3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide

C15H30N2O2 — CID 82960840

IUPAC3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCOCCN(C(=O)C1CCCC(CCN)C1)C(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)17(9-10-19-3)15(18)14-6-4-5-13(11-14)7-8-16/h12-14H,4-11,16H2,1-3H3
InChIKeyDLAWRIPZZZOJEU-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.03
Rot. Bonds7

About 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide

3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 82960840) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID82960840
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCOCCN(C(=O)C1CCCC(CCN)C1)C(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)17(9-10-19-3)15(18)14-6-4-5-13(11-14)7-8-16/h12-14H,4-11,16H2,1-3H3
InChIKeyDLAWRIPZZZOJEU-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62806618
3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784695
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
3-amino-N-butan-2-yl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 66010253
2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 82960939
3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide
CID 62807652
3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 62806950
3-amino-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62776661
N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide
CID 114276372
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074510
N-(2-methoxyethyl)-N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 82949267
1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide
CID 82947993

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 82960840) is 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide is COCCN(C(=O)C1CCCC(CCN)C1)C(C)C.
What is the InChIKey of 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is DLAWRIPZZZOJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)17(9-10-19-3)15(18)14-6-4-5-13(11-14)7-8-16/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 82960840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).