N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine

C18H37N3 — CID 63234674

IUPACN-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
SMILESCCC(CC)(CNC1CC1)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C18H37N3/c1-5-18(6-2,14-19-17-7-8-17)15-21(4)13-16-9-11-20(3)12-10-16/h16-17,19H,5-15H2,1-4H3
InChIKeyQTSRVLMGOWMIEY-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds9

About N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine

N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine (PubChem CID 63234674) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
PubChem CID63234674
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
SMILESCCC(CC)(CNC1CC1)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C18H37N3/c1-5-18(6-2,14-19-17-7-8-17)15-21(4)13-16-9-11-20(3)12-10-16/h16-17,19H,5-15H2,1-4H3
InChIKeyQTSRVLMGOWMIEY-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine (CID 63234674) is N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine is CCC(CC)(CNC1CC1)CN(C)CC1CCN(C)CC1.
What is the InChIKey of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine?
The InChIKey is QTSRVLMGOWMIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-18(6-2,14-19-17-7-8-17)15-21(4)13-16-9-11-20(3)12-10-16/h16-17,19H,5-15H2,1-4H3.
What are the key properties of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine?
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63234674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).