N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine

C25H50N6 — CID 91154108

IUPACN,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine
SMILESCN1CCC(CN2CCCC2CN2CCC(N(C)CCN3CCC(N(C)C)C3)C2)CC1
InChIInChI=1S/C25H50N6/c1-26(2)23-9-14-29(19-23)17-16-28(4)24-10-15-30(20-24)21-25-6-5-11-31(25)18-22-7-12-27(3)13-8-22/h22-25H,5-21H2,1-4H3
InChIKeyLLVPFDBIANSAPP-UHFFFAOYSA-N
MW434.72 g/mol
LogP1.43
Rot. Bonds9

About N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine

N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine (PubChem CID 91154108) has the molecular formula C25H50N6 and a molecular weight of 434.72 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine
PubChem CID91154108
Molecular FormulaC25H50N6
Molecular Weight434.72 g/mol
Exact Mass434.41
IUPAC NameN,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine
SMILESCN1CCC(CN2CCCC2CN2CCC(N(C)CCN3CCC(N(C)C)C3)C2)CC1
InChIInChI=1S/C25H50N6/c1-26(2)23-9-14-29(19-23)17-16-28(4)24-10-15-30(20-24)21-25-6-5-11-31(25)18-22-7-12-27(3)13-8-22/h22-25H,5-21H2,1-4H3
InChIKeyLLVPFDBIANSAPP-UHFFFAOYSA-N
XLogP1.43
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.72
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine (CID 91154108) is N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine is CN1CCC(CN2CCCC2CN2CCC(N(C)CCN3CCC(N(C)C)C3)C2)CC1.
What is the InChIKey of N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine?
The InChIKey is LLVPFDBIANSAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N6/c1-26(2)23-9-14-29(19-23)17-16-28(4)24-10-15-30(20-24)21-25-6-5-11-31(25)18-22-7-12-27(3)13-8-22/h22-25H,5-21H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine has a molecular weight of 434.72 g/mol, XLogP of 1.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[methyl-[1-[[1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]amino]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 91154108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).