N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide

C16H28N2O — CID 106611032

IUPACN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)CN(CC1CCCN1)C(=O)C1CC2CC2C1
InChIInChI=1S/C16H28N2O/c1-11(2)9-18(10-15-4-3-5-17-15)16(19)14-7-12-6-13(12)8-14/h11-15,17H,3-10H2,1-2H3
InChIKeyDHLCBDCATBUXNK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.27
Rot. Bonds5

About N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 106611032) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID106611032
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)CN(CC1CCCN1)C(=O)C1CC2CC2C1
InChIInChI=1S/C16H28N2O/c1-11(2)9-18(10-15-4-3-5-17-15)16(19)14-7-12-6-13(12)8-14/h11-15,17H,3-10H2,1-2H3
InChIKeyDHLCBDCATBUXNK-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106611174
1-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 106611146
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106611236
N-(piperidin-2-ylmethyl)-N-propylbicyclo[3.1.0]hexane-3-carboxamide
CID 106625572
N-(2-methylpropyl)-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106611318
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106611015
N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611302
1-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 106611291
N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611256
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516
4-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 106610939

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 106611032) is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide is CC(C)CN(CC1CCCN1)C(=O)C1CC2CC2C1.
What is the InChIKey of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is DHLCBDCATBUXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)9-18(10-15-4-3-5-17-15)16(19)14-7-12-6-13(12)8-14/h11-15,17H,3-10H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.27, 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[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 106611032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).