N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine

C17H28N4 — CID 105073298

IUPACN-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
SMILESCN(C)CC1CCN(c2cnccc2CNC2CC2)CC1
InChIInChI=1S/C17H28N4/c1-20(2)13-14-6-9-21(10-7-14)17-12-18-8-5-15(17)11-19-16-3-4-16/h5,8,12,14,16,19H,3-4,6-7,9-11,13H2,1-2H3
InChIKeyYZOCXMJLPARMLF-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.11
Rot. Bonds6

About N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine

N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105073298) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105073298
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
SMILESCN(C)CC1CCN(c2cnccc2CNC2CC2)CC1
InChIInChI=1S/C17H28N4/c1-20(2)13-14-6-9-21(10-7-14)17-12-18-8-5-15(17)11-19-16-3-4-16/h5,8,12,14,16,19H,3-4,6-7,9-11,13H2,1-2H3
InChIKeyYZOCXMJLPARMLF-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine (CID 105073298) is N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine is CN(C)CC1CCN(c2cnccc2CNC2CC2)CC1.
What is the InChIKey of N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is YZOCXMJLPARMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-20(2)13-14-6-9-21(10-7-14)17-12-18-8-5-15(17)11-19-16-3-4-16/h5,8,12,14,16,19H,3-4,6-7,9-11,13H2,1-2H3.
What are the key properties of N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 288.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105073298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).