N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide

C12H22N2O — CID 70907454

IUPACN-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide
SMILESCC(=O)NCCCNC1CC2CCC1C2
InChIInChI=1S/C12H22N2O/c1-9(15)13-5-2-6-14-12-8-10-3-4-11(12)7-10/h10-12,14H,2-8H2,1H3,(H,13,15)
InChIKeyRJGJAEZICGBESI-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.29
Rot. Bonds5

About N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide

N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide (PubChem CID 70907454) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide
PubChem CID70907454
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide
SMILESCC(=O)NCCCNC1CC2CCC1C2
InChIInChI=1S/C12H22N2O/c1-9(15)13-5-2-6-14-12-8-10-3-4-11(12)7-10/h10-12,14H,2-8H2,1H3,(H,13,15)
InChIKeyRJGJAEZICGBESI-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115886368
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
3-(2-bicyclo[2.2.1]heptanylamino)propanamide
CID 61309343
6-(2-bicyclo[2.2.1]heptanylamino)hexan-1-ol
CID 115906734
N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 65093327
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
N-(3-acetamidopropyl)-4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
CID 129378400
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide
CID 98119461
N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide (CID 70907454) is N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide is CC(=O)NCCCNC1CC2CCC1C2.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide?
The InChIKey is RJGJAEZICGBESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(15)13-5-2-6-14-12-8-10-3-4-11(12)7-10/h10-12,14H,2-8H2,1H3,(H,13,15).
What are the key properties of N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide?
N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide has a molecular weight of 210.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide is sourced from PubChem (CID 70907454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).