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

C18H25N3 — CID 82823981

IUPACN-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1ccc2c(c1)ccn2CCCNC1CCN2CCCC12
InChIInChI=1S/C18H25N3/c1-2-6-17-15(5-1)8-13-20(17)12-4-10-19-16-9-14-21-11-3-7-18(16)21/h1-2,5-6,8,13,16,18-19H,3-4,7,9-12,14H2
InChIKeyHIBHWQAPRVKDHX-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.86
Rot. Bonds5

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

N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82823981) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82823981
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1ccc2c(c1)ccn2CCCNC1CCN2CCCC12
InChIInChI=1S/C18H25N3/c1-2-6-17-15(5-1)8-13-20(17)12-4-10-19-16-9-14-21-11-3-7-18(16)21/h1-2,5-6,8,13,16,18-19H,3-4,7,9-12,14H2
InChIKeyHIBHWQAPRVKDHX-UHFFFAOYSA-N
XLogP2.86
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 28716039
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CID 102671461
N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine
CID 43078302
N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 166210950
N-(3-indol-1-ylpropyl)-1,1-dioxothian-3-amine
CID 63910668
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475
N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75382409
N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide
CID 71899025
2-(3-indol-1-ylpropyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 91714382
1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
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CID 154913019

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82823981) is N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is c1ccc2c(c1)ccn2CCCNC1CCN2CCCC12.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is HIBHWQAPRVKDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-6-17-15(5-1)8-13-20(17)12-4-10-19-16-9-14-21-11-3-7-18(16)21/h1-2,5-6,8,13,16,18-19H,3-4,7,9-12,14H2.
What are the key properties of N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 283.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82823981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).