N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide

C11H20N2O — CID 61365117

IUPACN-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNCCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C11H20N2O/c12-4-1-5-13-11(14)10-7-8-2-3-9(10)6-8/h8-10H,1-7,12H2,(H,13,14)
InChIKeyRRTYCECCSWKFAB-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.89
Rot. Bonds4

About N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 61365117) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID61365117
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNCCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C11H20N2O/c12-4-1-5-13-11(14)10-7-8-2-3-9(10)6-8/h8-10H,1-7,12H2,(H,13,14)
InChIKeyRRTYCECCSWKFAB-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.89
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-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107321626
(1R,2R,4R)-N-octylbicyclo[2.2.1]heptane-2-carboxamide
CID 98289110
7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
CID 43209972
3-[[(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]propyl-trimethylazanium
CID 23306656
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113440573
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079828
N-(2-amino-2-sulfanylideneethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61366322

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 61365117) is N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide is NCCCNC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RRTYCECCSWKFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-4-1-5-13-11(14)10-7-8-2-3-9(10)6-8/h8-10H,1-7,12H2,(H,13,14).
What are the key properties of N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 61365117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).