2-amino-3-(cycloheptylamino)propanamide

C10H21N3O — CID 103237250

IUPAC2-amino-3-(cycloheptylamino)propanamide
SMILESNC(=O)C(N)CNC1CCCCCC1
InChIInChI=1S/C10H21N3O/c11-9(10(12)14)7-13-8-5-3-1-2-4-6-8/h8-9,13H,1-7,11H2,(H2,12,14)
InChIKeySQNPOTHRMMFQTQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.11
Rot. Bonds4

About 2-amino-3-(cycloheptylamino)propanamide

2-amino-3-(cycloheptylamino)propanamide (PubChem CID 103237250) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-amino-3-(cycloheptylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(cycloheptylamino)propanamide
PubChem CID103237250
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-amino-3-(cycloheptylamino)propanamide
SMILESNC(=O)C(N)CNC1CCCCCC1
InChIInChI=1S/C10H21N3O/c11-9(10(12)14)7-13-8-5-3-1-2-4-6-8/h8-9,13H,1-7,11H2,(H2,12,14)
InChIKeySQNPOTHRMMFQTQ-UHFFFAOYSA-N
XLogP0.11
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(cyclooctylamino)propanamide
CID 103233108
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-(cycloheptylamino)propan-2-ol
CID 43392225

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cycloheptylamino)propanamide?
The IUPAC name of 2-amino-3-(cycloheptylamino)propanamide (CID 103237250) is 2-amino-3-(cycloheptylamino)propanamide.
What is the SMILES notation for 2-amino-3-(cycloheptylamino)propanamide?
The canonical SMILES for 2-amino-3-(cycloheptylamino)propanamide is NC(=O)C(N)CNC1CCCCCC1.
What is the InChIKey of 2-amino-3-(cycloheptylamino)propanamide?
The InChIKey is SQNPOTHRMMFQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-9(10(12)14)7-13-8-5-3-1-2-4-6-8/h8-9,13H,1-7,11H2,(H2,12,14).
What are the key properties of 2-amino-3-(cycloheptylamino)propanamide?
2-amino-3-(cycloheptylamino)propanamide has a molecular weight of 199.30 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cycloheptylamino)propanamide is sourced from PubChem (CID 103237250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).