2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine

C16H35N3 — CID 55087320

IUPAC2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCN1CCC(N(C)C(C)CNC(C)(C)CC)CC1
InChIInChI=1S/C16H35N3/c1-7-16(4,5)17-13-14(3)18(6)15-9-11-19(8-2)12-10-15/h14-15,17H,7-13H2,1-6H3
InChIKeyCZJRSMHYNIRKRX-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds7

About 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine

2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 55087320) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
PubChem CID55087320
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCN1CCC(N(C)C(C)CNC(C)(C)CC)CC1
InChIInChI=1S/C16H35N3/c1-7-16(4,5)17-13-14(3)18(6)15-9-11-19(8-2)12-10-15/h14-15,17H,7-13H2,1-6H3
InChIKeyCZJRSMHYNIRKRX-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine (CID 55087320) is 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine is CCN1CCC(N(C)C(C)CNC(C)(C)CC)CC1.
What is the InChIKey of 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is CZJRSMHYNIRKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-16(4,5)17-13-14(3)18(6)15-9-11-19(8-2)12-10-15/h14-15,17H,7-13H2,1-6H3.
What are the key properties of 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 55087320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).