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

C14H26N2O2 — CID 82942435

IUPAC3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCOCCCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H26N2O2/c1-2-7-18-8-3-6-16-14(17)12-10-4-5-11(9-10)13(12)15/h10-13H,2-9,15H2,1H3,(H,16,17)
InChIKeyVUXHPRFOKOAAHF-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.29
Rot. Bonds7

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

3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 82942435) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID82942435
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCOCCCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H26N2O2/c1-2-7-18-8-3-6-16-14(17)12-10-4-5-11(9-10)13(12)15/h10-13H,2-9,15H2,1H3,(H,16,17)
InChIKeyVUXHPRFOKOAAHF-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-ethoxybutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722400
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119799999
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119728915
3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103809087
3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 114158982
3-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 115738484
3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119717787
3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106292057
3-amino-N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119822130
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 119720592
3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119885437
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119773936

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 82942435) is 3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is CCCOCCCNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VUXHPRFOKOAAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-7-18-8-3-6-16-14(17)12-10-4-5-11(9-10)13(12)15/h10-13H,2-9,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 82942435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).