N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

C17H31N — CID 63521466

IUPACN-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CC2CCCC2)CC2CCC1C2
InChIInChI=1S/C17H31N/c1-13(2)18-12-17(10-14-5-3-4-6-14)11-15-7-8-16(17)9-15/h13-16,18H,3-12H2,1-2H3
InChIKeyJONUIYZYPLRXDB-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.37
Rot. Bonds5

About N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 63521466) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID63521466
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CC2CCCC2)CC2CCC1C2
InChIInChI=1S/C17H31N/c1-13(2)18-12-17(10-14-5-3-4-6-14)11-15-7-8-16(17)9-15/h13-16,18H,3-12H2,1-2H3
InChIKeyJONUIYZYPLRXDB-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 63521466) is N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is CC(C)NCC1(CC2CCCC2)CC2CCC1C2.
What is the InChIKey of N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is JONUIYZYPLRXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-13(2)18-12-17(10-14-5-3-4-6-14)11-15-7-8-16(17)9-15/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 249.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is sourced from PubChem (CID 63521466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).