N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine

C19H40N4 — CID 129168724

IUPACN-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine
SMILESCC(C)NCCN1CCC(CC(C)NCC2CCN(C)CC2)C1
InChIInChI=1S/C19H40N4/c1-16(2)20-8-12-23-11-7-19(15-23)13-17(3)21-14-18-5-9-22(4)10-6-18/h16-21H,5-15H2,1-4H3
InChIKeyFLBRJVUNDBCEJU-UHFFFAOYSA-N
MW324.56 g/mol
LogP2.02
Rot. Bonds9

About N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine

N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine (PubChem CID 129168724) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine
PubChem CID129168724
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine
SMILESCC(C)NCCN1CCC(CC(C)NCC2CCN(C)CC2)C1
InChIInChI=1S/C19H40N4/c1-16(2)20-8-12-23-11-7-19(15-23)13-17(3)21-14-18-5-9-22(4)10-6-18/h16-21H,5-15H2,1-4H3
InChIKeyFLBRJVUNDBCEJU-UHFFFAOYSA-N
XLogP2.02
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine (CID 129168724) is N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine is CC(C)NCCN1CCC(CC(C)NCC2CCN(C)CC2)C1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine?
The InChIKey is FLBRJVUNDBCEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4/c1-16(2)20-8-12-23-11-7-19(15-23)13-17(3)21-14-18-5-9-22(4)10-6-18/h16-21H,5-15H2,1-4H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine?
N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine has a molecular weight of 324.56 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine is sourced from PubChem (CID 129168724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).