1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine

C18H26N2 — CID 61308788

IUPAC1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NC3CC4CCC3C4)C2)cc1
InChIInChI=1S/C18H26N2/c1-2-4-14(5-3-1)12-20-9-8-17(13-20)19-18-11-15-6-7-16(18)10-15/h1-5,15-19H,6-13H2
InChIKeyAMHDESMMZMSSOS-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.04
Rot. Bonds4

About 1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine

1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine (PubChem CID 61308788) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine
PubChem CID61308788
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NC3CC4CCC3C4)C2)cc1
InChIInChI=1S/C18H26N2/c1-2-4-14(5-3-1)12-20-9-8-17(13-20)19-18-11-15-6-7-16(18)10-15/h1-5,15-19H,6-13H2
InChIKeyAMHDESMMZMSSOS-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]thiourea
CID 11936735
1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine
CID 102671339
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752309
1-benzyl-N-(1,1-dioxothian-4-yl)pyrrolidin-3-amine
CID 43615007
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861
2-(4-benzylpiperazin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 21383089
N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
CID 65070074
4-benzyl-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine-1-carbothioamide
CID 11936690
1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine
CID 167503574

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine (CID 61308788) is 1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine is c1ccc(CN2CCC(NC3CC4CCC3C4)C2)cc1.
What is the InChIKey of 1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine?
The InChIKey is AMHDESMMZMSSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-4-14(5-3-1)12-20-9-8-17(13-20)19-18-11-15-6-7-16(18)10-15/h1-5,15-19H,6-13H2.
What are the key properties of 1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine?
1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine has a molecular weight of 270.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine is sourced from PubChem (CID 61308788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).