N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide

C15H21NO — CID 115532495

IUPACN-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
SMILESC#CCN(CC1CC1)C(=O)C1CC2CCC1C2
InChIInChI=1S/C15H21NO/c1-2-7-16(10-11-3-4-11)15(17)14-9-12-5-6-13(14)8-12/h1,11-14H,3-10H2
InChIKeyCBOKCVHIORINDV-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.29
Rot. Bonds4

About N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide

N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 115532495) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID115532495
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
SMILESC#CCN(CC1CC1)C(=O)C1CC2CCC1C2
InChIInChI=1S/C15H21NO/c1-2-7-16(10-11-3-4-11)15(17)14-9-12-5-6-13(14)8-12/h1,11-14H,3-10H2
InChIKeyCBOKCVHIORINDV-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 115532543
(1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11894734
1-(cyclopropylmethyl)-3,3-dimethyl-1-prop-2-ynylurea
CID 115549872
methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate
CID 115549687
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide
CID 115532424
N-(3-aminopropyl)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 61363750
tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate
CID 132851274
2-[[cyclopropylmethyl(ethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284715
N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide
CID 115761109
N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 106133416
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106611174

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide (CID 115532495) is N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide is C#CCN(CC1CC1)C(=O)C1CC2CCC1C2.
What is the InChIKey of N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CBOKCVHIORINDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-7-16(10-11-3-4-11)15(17)14-9-12-5-6-13(14)8-12/h1,11-14H,3-10H2.
What are the key properties of N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide?
N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 231.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 115532495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).