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

C18H27N — CID 63521467

IUPACN-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccccc2)CC2CCC1C2
InChIInChI=1S/C18H27N/c1-14(2)19-13-18(11-15-6-4-3-5-7-15)12-16-8-9-17(18)10-16/h3-7,14,16-17,19H,8-13H2,1-2H3
InChIKeyUMASFZOERPXHNN-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.03
Rot. Bonds5

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

N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine (PubChem CID 63521467) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
PubChem CID63521467
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccccc2)CC2CCC1C2
InChIInChI=1S/C18H27N/c1-14(2)19-13-18(11-15-6-4-3-5-7-15)12-16-8-9-17(18)10-16/h3-7,14,16-17,19H,8-13H2,1-2H3
InChIKeyUMASFZOERPXHNN-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine (CID 63521467) is N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine is CC(C)NCC1(Cc2ccccc2)CC2CCC1C2.
What is the InChIKey of N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
The InChIKey is UMASFZOERPXHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14(2)19-13-18(11-15-6-4-3-5-7-15)12-16-8-9-17(18)10-16/h3-7,14,16-17,19H,8-13H2,1-2H3.
What are the key properties of N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine is sourced from PubChem (CID 63521467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).