N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

C17H30N2O — CID 106611174

IUPACN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CN(CC1CCCN1)C(=O)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O/c1-12(2)10-19(11-15-4-3-7-18-15)17(20)16-9-13-5-6-14(16)8-13/h12-16,18H,3-11H2,1-2H3
InChIKeyXONCZLXVPNVZSD-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.66
Rot. Bonds5

About N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 106611174) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID106611174
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CN(CC1CCCN1)C(=O)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O/c1-12(2)10-19(11-15-4-3-7-18-15)17(20)16-9-13-5-6-14(16)8-13/h12-16,18H,3-11H2,1-2H3
InChIKeyXONCZLXVPNVZSD-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 106611174) is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)CN(CC1CCCN1)C(=O)C1CC2CCC1C2.
What is the InChIKey of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XONCZLXVPNVZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)10-19(11-15-4-3-7-18-15)17(20)16-9-13-5-6-14(16)8-13/h12-16,18H,3-11H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 106611174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).