N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

C18H39N3 — CID 62263050

IUPACN-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCCC(CC)(CNC(C)(C)C)CN(C)C1CCN(C)CC1
InChIInChI=1S/C18H39N3/c1-8-18(9-2,14-19-17(3,4)5)15-21(7)16-10-12-20(6)13-11-16/h16,19H,8-15H2,1-7H3
InChIKeyHZAJFYBYJATKFK-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.21
Rot. Bonds7

About N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 62263050) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
PubChem CID62263050
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC NameN-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCCC(CC)(CNC(C)(C)C)CN(C)C1CCN(C)CC1
InChIInChI=1S/C18H39N3/c1-8-18(9-2,14-19-17(3,4)5)15-21(7)16-10-12-20(6)13-11-16/h16,19H,8-15H2,1-7H3
InChIKeyHZAJFYBYJATKFK-UHFFFAOYSA-N
XLogP3.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62263106
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494862
2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62260372
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 55175585
N-cyclohexyl-N'-cyclopropyl-2,2-diethyl-N-methylpropane-1,3-diamine
CID 62263046
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63234674
2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol
CID 114447442
N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
CID 55195594
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494489
N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62260529
N-cyclopropyl-2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 63494314
1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 83042217

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (CID 62263050) is N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is CCC(CC)(CNC(C)(C)C)CN(C)C1CCN(C)CC1.
What is the InChIKey of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is HZAJFYBYJATKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-8-18(9-2,14-19-17(3,4)5)15-21(7)16-10-12-20(6)13-11-16/h16,19H,8-15H2,1-7H3.
What are the key properties of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 297.53 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62263050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).