N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine

C15H33N3 — CID 55073601

IUPACN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)N1CCC(CN(C)C)CC1
InChIInChI=1S/C15H33N3/c1-13(2)10-16-11-14(3)18-8-6-15(7-9-18)12-17(4)5/h13-16H,6-12H2,1-5H3
InChIKeyCRILADVNJLXCCT-UHFFFAOYSA-N
MW255.45 g/mol
LogP1.89
Rot. Bonds7

About N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine

N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine (PubChem CID 55073601) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
PubChem CID55073601
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)N1CCC(CN(C)C)CC1
InChIInChI=1S/C15H33N3/c1-13(2)10-16-11-14(3)18-8-6-15(7-9-18)12-17(4)5/h13-16H,6-12H2,1-5H3
InChIKeyCRILADVNJLXCCT-UHFFFAOYSA-N
XLogP1.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine (CID 55073601) is N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)N1CCC(CN(C)C)CC1.
What is the InChIKey of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is CRILADVNJLXCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-13(2)10-16-11-14(3)18-8-6-15(7-9-18)12-17(4)5/h13-16H,6-12H2,1-5H3.
What are the key properties of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine?
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55073601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).