N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

C16H29NO — CID 559669

IUPACN,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-11(2)9-17(10-12(3)4)16(18)15-8-13-5-6-14(15)7-13/h11-15H,5-10H2,1-4H3
InChIKeyTWBOTIRIQPVIID-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.56
Rot. Bonds5

About N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 559669) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID559669
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-11(2)9-17(10-12(3)4)16(18)15-8-13-5-6-14(15)7-13/h11-15H,5-10H2,1-4H3
InChIKeyTWBOTIRIQPVIID-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 559669) is N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)CN(CC(C)C)C(=O)C1CC2CCC1C2.
What is the InChIKey of N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is TWBOTIRIQPVIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11(2)9-17(10-12(3)4)16(18)15-8-13-5-6-14(15)7-13/h11-15H,5-10H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 251.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 559669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).