N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide

C14H28N2O2 — CID 63287770

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
SMILESCOCCN(CCCN)C(=O)C1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-18-12-11-16(10-6-9-15)14(17)13-7-4-2-3-5-8-13/h13H,2-12,15H2,1H3
InChIKeyXOMWRNBDZWDSCW-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds7

About N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide

N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide (PubChem CID 63287770) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
PubChem CID63287770
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
SMILESCOCCN(CCCN)C(=O)C1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-18-12-11-16(10-6-9-15)14(17)13-7-4-2-3-5-8-13/h13H,2-12,15H2,1H3
InChIKeyXOMWRNBDZWDSCW-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
N-(2-hydroxyethyl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 115772789
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
CID 64913179
N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 55167313
N-(2-aminoethyl)-N-butylcyclooctanecarboxamide
CID 65020868
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 66009602
3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid
CID 82323958
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-(2-aminoethyl)-2-cycloheptyl-N-(2-methoxyethyl)acetamide
CID 114459191

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide (CID 63287770) is N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide is COCCN(CCCN)C(=O)C1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide?
The InChIKey is XOMWRNBDZWDSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-18-12-11-16(10-6-9-15)14(17)13-7-4-2-3-5-8-13/h13H,2-12,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide is sourced from PubChem (CID 63287770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).