3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide

C14H22N2O — CID 114158982

IUPAC3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide
SMILESC#CCCCCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-8-16-14(17)12-10-6-7-11(9-10)13(12)15/h1,10-13H,3-9,15H2,(H,16,17)
InChIKeyHURKVKUDUGDFCP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.28
Rot. Bonds5

About 3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 114158982) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID114158982
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide
SMILESC#CCCCCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-8-16-14(17)12-10-6-7-11(9-10)13(12)15/h1,10-13H,3-9,15H2,(H,16,17)
InChIKeyHURKVKUDUGDFCP-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119885437
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 82942435
3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103809087
4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983
2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
CID 106212965
3-amino-N-[4-(4-nitrophenyl)butyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119778298
3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119861966
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119728915
3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726704

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide (CID 114158982) is 3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide is C#CCCCCNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HURKVKUDUGDFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-4-5-8-16-14(17)12-10-6-7-11(9-10)13(12)15/h1,10-13H,3-9,15H2,(H,16,17).
What are the key properties of 3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 114158982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).