N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C18H27N3 — CID 43752309

IUPACN-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1ccc(CN2CCC(NC3CCN4CCCC34)C2)cc1
InChIInChI=1S/C18H27N3/c1-2-5-15(6-3-1)13-20-11-8-16(14-20)19-17-9-12-21-10-4-7-18(17)21/h1-3,5-6,16-19H,4,7-14H2
InChIKeyLNEDCTYLTKVEKP-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.09
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752309) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752309
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1ccc(CN2CCC(NC3CCN4CCCC34)C2)cc1
InChIInChI=1S/C18H27N3/c1-2-5-15(6-3-1)13-20-11-8-16(14-20)19-17-9-12-21-10-4-7-18(17)21/h1-3,5-6,16-19H,4,7-14H2
InChIKeyLNEDCTYLTKVEKP-UHFFFAOYSA-N
XLogP2.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
CID 65070074
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861
1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine
CID 61308788
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine
CID 102671339
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
1-benzyl-N-(1,1-dioxothian-4-yl)pyrrolidin-3-amine
CID 43615007
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752309) is N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is c1ccc(CN2CCC(NC3CCN4CCCC34)C2)cc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is LNEDCTYLTKVEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-5-15(6-3-1)13-20-11-8-16(14-20)19-17-9-12-21-10-4-7-18(17)21/h1-3,5-6,16-19H,4,7-14H2.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 285.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).