N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine

C23H37N5 — CID 140718972

IUPACN,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine
SMILESCN(C)CCCN1CCN(CCCN2CCC3=C4CC=CC=C4N=C3C2)CC1
InChIInChI=1S/C23H37N5/c1-25(2)10-5-11-26-15-17-27(18-16-26)12-6-13-28-14-9-21-20-7-3-4-8-22(20)24-23(21)19-28/h3-4,8H,5-7,9-19H2,1-2H3
InChIKeyAIGDHTPMOAATCV-UHFFFAOYSA-N
MW383.58 g/mol
LogP2.25
Rot. Bonds8

About N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine

N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine (PubChem CID 140718972) has the molecular formula C23H37N5 and a molecular weight of 383.58 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine
PubChem CID140718972
Molecular FormulaC23H37N5
Molecular Weight383.58 g/mol
Exact Mass383.30
IUPAC NameN,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine
SMILESCN(C)CCCN1CCN(CCCN2CCC3=C4CC=CC=C4N=C3C2)CC1
InChIInChI=1S/C23H37N5/c1-25(2)10-5-11-26-15-17-27(18-16-26)12-6-13-28-14-9-21-20-7-3-4-8-22(20)24-23(21)19-28/h3-4,8H,5-7,9-19H2,1-2H3
InChIKeyAIGDHTPMOAATCV-UHFFFAOYSA-N
XLogP2.25
TPSA25.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine (CID 140718972) is N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine is CN(C)CCCN1CCN(CCCN2CCC3=C4CC=CC=C4N=C3C2)CC1.
What is the InChIKey of N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine?
The InChIKey is AIGDHTPMOAATCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5/c1-25(2)10-5-11-26-15-17-27(18-16-26)12-6-13-28-14-9-21-20-7-3-4-8-22(20)24-23(21)19-28/h3-4,8H,5-7,9-19H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine?
N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine has a molecular weight of 383.58 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[3-(1,3,4,5-tetrahydropyrido[3,4-b]indol-2-yl)propyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 140718972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).