N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine

C17H35N3 — CID 58904694

IUPACN-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine
SMILESCC(C)N1CCC(N(C)CC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C17H35N3/c1-14(2)19-10-7-17(8-11-19)18(5)12-16-6-9-20(13-16)15(3)4/h14-17H,6-13H2,1-5H3
InChIKeyOGSBLLNSAOLHOE-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine

N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine (PubChem CID 58904694) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine
PubChem CID58904694
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine
SMILESCC(C)N1CCC(N(C)CC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C17H35N3/c1-14(2)19-10-7-17(8-11-19)18(5)12-16-6-9-20(13-16)15(3)4/h14-17H,6-13H2,1-5H3
InChIKeyOGSBLLNSAOLHOE-UHFFFAOYSA-N
XLogP2.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine (CID 58904694) is N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine is CC(C)N1CCC(N(C)CC2CCN(C(C)C)C2)CC1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The InChIKey is OGSBLLNSAOLHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)19-10-7-17(8-11-19)18(5)12-16-6-9-20(13-16)15(3)4/h14-17H,6-13H2,1-5H3.
What are the key properties of N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine?
N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine has a molecular weight of 281.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 58904694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).