3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide

C14H28N2O — CID 62808704

IUPAC3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
SMILESCCC(CC)NC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C14H28N2O/c1-3-13(4-2)16-14(17)12-7-5-6-11(10-12)8-9-15/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeySSXWDKMXRMFALN-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.45
Rot. Bonds6

About 3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide

3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide (PubChem CID 62808704) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
PubChem CID62808704
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
SMILESCCC(CC)NC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C14H28N2O/c1-3-13(4-2)16-14(17)12-7-5-6-11(10-12)8-9-15/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeySSXWDKMXRMFALN-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide (CID 62808704) is 3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide is CCC(CC)NC(=O)C1CCCC(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide?
The InChIKey is SSXWDKMXRMFALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-13(4-2)16-14(17)12-7-5-6-11(10-12)8-9-15/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 62808704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).