1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide

C15H31N3O — CID 61005401

IUPAC1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCCCCCC1
InChIInChI=1S/C15H31N3O/c1-3-18(4-2)13-12-17-15(14(16)19)10-8-6-5-7-9-11-15/h17H,3-13H2,1-2H3,(H2,16,19)
InChIKeyMJLRCZBHERYQJQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.89
Rot. Bonds7

About 1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide

1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide (PubChem CID 61005401) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide
PubChem CID61005401
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCCCCCC1
InChIInChI=1S/C15H31N3O/c1-3-18(4-2)13-12-17-15(14(16)19)10-8-6-5-7-9-11-15/h17H,3-13H2,1-2H3,(H2,16,19)
InChIKeyMJLRCZBHERYQJQ-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Butylamino)-2-ethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanamide
CID 175435706
1-(Methylamino)cyclohexanecarboxamide
CID 283792
2-Methyl-2-(2,2,2-trifluoroethylamino)nonanamide
CID 54892589
2-Methyl-2-(2,2,2-trifluoroethylamino)octanamide
CID 54892635
1-(2,2,2-Trifluoroethylamino)cyclooctane-1-carboxamide
CID 54892641
1-(2,2,2-Trifluoroethylamino)cyclododecane-1-carboxamide
CID 60997360
2-Methyl-2-(2,2,2-trifluoroethylamino)heptanamide
CID 80557412
1-(Diethylamino)cyclohexanecarboxamide
CID 16762798
1-(Ethylamino)cyclohexane-1-carboxamide
CID 13716877
7,7-Dimethyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one
CID 22984601
1-Tert-butyl-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 22985285
1-amino-N-[2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
CID 24701061

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide?
The IUPAC name of 1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide (CID 61005401) is 1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide is CCN(CC)CCNC1(C(N)=O)CCCCCCC1.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide?
The InChIKey is MJLRCZBHERYQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-18(4-2)13-12-17-15(14(16)19)10-8-6-5-7-9-11-15/h17H,3-13H2,1-2H3,(H2,16,19).
What are the key properties of 1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide?
1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide is sourced from PubChem (CID 61005401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).