5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide

C21H40N2O — CID 129211806

IUPAC5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide
SMILESCC(N)C1CCCCCC(C(=O)NC2CCCCCCC2)CCC1
InChIInChI=1S/C21H40N2O/c1-17(22)18-11-6-5-7-12-19(14-10-13-18)21(24)23-20-15-8-3-2-4-9-16-20/h17-20H,2-16,22H2,1H3,(H,23,24)
InChIKeyFFKVSBXVNLXUEN-UHFFFAOYSA-N
MW336.56 g/mol
LogP4.93
Rot. Bonds3

About 5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide

5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide (PubChem CID 129211806) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide
PubChem CID129211806
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide
SMILESCC(N)C1CCCCCC(C(=O)NC2CCCCCCC2)CCC1
InChIInChI=1S/C21H40N2O/c1-17(22)18-11-6-5-7-12-19(14-10-13-18)21(24)23-20-15-8-3-2-4-9-16-20/h17-20H,2-16,22H2,1H3,(H,23,24)
InChIKeyFFKVSBXVNLXUEN-UHFFFAOYSA-N
XLogP4.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1R)-1-aminoethyl]-N-cyclodecylcyclooctane-1-carboxamide
CID 126513454
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide
CID 126513505
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide
CID 163685582
acetaldehyde;N-cyclohexylcyclopropanecarboxamide
CID 143959717
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide?
The IUPAC name of 5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide (CID 129211806) is 5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide.
What is the SMILES notation for 5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide?
The canonical SMILES for 5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide is CC(N)C1CCCCCC(C(=O)NC2CCCCCCC2)CCC1.
What is the InChIKey of 5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide?
The InChIKey is FFKVSBXVNLXUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-17(22)18-11-6-5-7-12-19(14-10-13-18)21(24)23-20-15-8-3-2-4-9-16-20/h17-20H,2-16,22H2,1H3,(H,23,24).
What are the key properties of 5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide?
5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide has a molecular weight of 336.56 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide is sourced from PubChem (CID 129211806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).