2-amino-3-(cyclooctylamino)propanamide

C11H23N3O — CID 103233108

IUPAC2-amino-3-(cyclooctylamino)propanamide
SMILESNC(=O)C(N)CNC1CCCCCCC1
InChIInChI=1S/C11H23N3O/c12-10(11(13)15)8-14-9-6-4-2-1-3-5-7-9/h9-10,14H,1-8,12H2,(H2,13,15)
InChIKeyJDWVGBWCQSUFOA-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.50
Rot. Bonds4

About 2-amino-3-(cyclooctylamino)propanamide

2-amino-3-(cyclooctylamino)propanamide (PubChem CID 103233108) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-amino-3-(cyclooctylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(cyclooctylamino)propanamide
PubChem CID103233108
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-amino-3-(cyclooctylamino)propanamide
SMILESNC(=O)C(N)CNC1CCCCCCC1
InChIInChI=1S/C11H23N3O/c12-10(11(13)15)8-14-9-6-4-2-1-3-5-7-9/h9-10,14H,1-8,12H2,(H2,13,15)
InChIKeyJDWVGBWCQSUFOA-UHFFFAOYSA-N
XLogP0.50
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(cycloheptylamino)propanamide
CID 103237250
2-amino-3-(cyclohexylamino)propanoic acid
CID 64582225
2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 103257937
[1-amino-2-(cycloheptylamino)ethyl]phosphonic acid
CID 127049824
2-(cyclohexylamino)acetamide
CID 13444045
methyl 2-chloro-3-(cycloheptylamino)propanoate
CID 103491892
methyl 2-chloro-3-(cyclohexylamino)propanoate
CID 103845864
1-N-cyclododecylbutane-1,2-diamine
CID 83958083
2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide
CID 103255271
2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanamide
CID 103254782
2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate
CID 170283768
1-(cyclooctylamino)propan-2-ol
CID 20539535

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclooctylamino)propanamide?
The IUPAC name of 2-amino-3-(cyclooctylamino)propanamide (CID 103233108) is 2-amino-3-(cyclooctylamino)propanamide.
What is the SMILES notation for 2-amino-3-(cyclooctylamino)propanamide?
The canonical SMILES for 2-amino-3-(cyclooctylamino)propanamide is NC(=O)C(N)CNC1CCCCCCC1.
What is the InChIKey of 2-amino-3-(cyclooctylamino)propanamide?
The InChIKey is JDWVGBWCQSUFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c12-10(11(13)15)8-14-9-6-4-2-1-3-5-7-9/h9-10,14H,1-8,12H2,(H2,13,15).
What are the key properties of 2-amino-3-(cyclooctylamino)propanamide?
2-amino-3-(cyclooctylamino)propanamide has a molecular weight of 213.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclooctylamino)propanamide is sourced from PubChem (CID 103233108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).