N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine

C21H42N4 — CID 130427055

IUPACN-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine
SMILESCC(C)N1CCC(N(C)CCC(C)N2CCC(N3CCCC3)CC2)C1
InChIInChI=1S/C21H42N4/c1-18(2)25-16-10-21(17-25)22(4)13-7-19(3)23-14-8-20(9-15-23)24-11-5-6-12-24/h18-21H,5-17H2,1-4H3
InChIKeyMYEPANBGLIXMTD-UHFFFAOYSA-N
MW350.60 g/mol
LogP2.74
Rot. Bonds7

About N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine

N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine (PubChem CID 130427055) has the molecular formula C21H42N4 and a molecular weight of 350.60 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine
PubChem CID130427055
Molecular FormulaC21H42N4
Molecular Weight350.60 g/mol
Exact Mass350.34
IUPAC NameN-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine
SMILESCC(C)N1CCC(N(C)CCC(C)N2CCC(N3CCCC3)CC2)C1
InChIInChI=1S/C21H42N4/c1-18(2)25-16-10-21(17-25)22(4)13-7-19(3)23-14-8-20(9-15-23)24-11-5-6-12-24/h18-21H,5-17H2,1-4H3
InChIKeyMYEPANBGLIXMTD-UHFFFAOYSA-N
XLogP2.74
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine (CID 130427055) is N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine is CC(C)N1CCC(N(C)CCC(C)N2CCC(N3CCCC3)CC2)C1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine?
The InChIKey is MYEPANBGLIXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4/c1-18(2)25-16-10-21(17-25)22(4)13-7-19(3)23-14-8-20(9-15-23)24-11-5-6-12-24/h18-21H,5-17H2,1-4H3.
What are the key properties of N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine?
N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine has a molecular weight of 350.60 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine is sourced from PubChem (CID 130427055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).