2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine

C18H27N — CID 79557833

IUPAC2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)CC1CC2CCC1C2
InChIInChI=1S/C18H27N/c1-2-18(19,12-14-6-4-3-5-7-14)13-17-11-15-8-9-16(17)10-15/h3-7,15-17H,2,8-13,19H2,1H3
InChIKeyKLJFRYOWEFQGPE-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.16
Rot. Bonds5

About 2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine

2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine (PubChem CID 79557833) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine.

Molecular Properties

Compound Name2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine
PubChem CID79557833
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)CC1CC2CCC1C2
InChIInChI=1S/C18H27N/c1-2-18(19,12-14-6-4-3-5-7-14)13-17-11-15-8-9-16(17)10-15/h3-7,15-17H,2,8-13,19H2,1H3
InChIKeyKLJFRYOWEFQGPE-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine
CID 79558859
2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane
CID 101152696
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926
2-benzyl-2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanedinitrile
CID 139089766
2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol
CID 114246918
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol
CID 79559635
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
CID 79557822
2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 114910962
N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
CID 43458967
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine?
The IUPAC name of 2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine (CID 79557833) is 2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine.
What is the SMILES notation for 2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine?
The canonical SMILES for 2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine is CCC(N)(Cc1ccccc1)CC1CC2CCC1C2.
What is the InChIKey of 2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine?
The InChIKey is KLJFRYOWEFQGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-18(19,12-14-6-4-3-5-7-14)13-17-11-15-8-9-16(17)10-15/h3-7,15-17H,2,8-13,19H2,1H3.
What are the key properties of 2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine?
2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine is sourced from PubChem (CID 79557833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).