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

C14H29N3 — CID 63249288

IUPACN-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1C1CCN(C(C)C)C1
InChIInChI=1S/C14H29N3/c1-12(2)16-9-7-14(11-16)17-8-5-4-6-13(17)10-15-3/h12-15H,4-11H2,1-3H3
InChIKeyTYUHUVRHMOIZQL-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds4

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

N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine (PubChem CID 63249288) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine
PubChem CID63249288
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1C1CCN(C(C)C)C1
InChIInChI=1S/C14H29N3/c1-12(2)16-9-7-14(11-16)17-8-5-4-6-13(17)10-15-3/h12-15H,4-11H2,1-3H3
InChIKeyTYUHUVRHMOIZQL-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine (CID 63249288) is N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine is CNCC1CCCCN1C1CCN(C(C)C)C1.
What is the InChIKey of N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine?
The InChIKey is TYUHUVRHMOIZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(2)16-9-7-14(11-16)17-8-5-4-6-13(17)10-15-3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine?
N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 63249288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).