N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine

C17H35N3 — CID 79553044

IUPACN'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CCCCC1C1CCCCN1
InChIInChI=1S/C17H35N3/c1-14(2)20(3)13-12-19-17-9-5-4-8-15(17)16-10-6-7-11-18-16/h14-19H,4-13H2,1-3H3
InChIKeyRCNQWKWCYHMZLO-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.62
Rot. Bonds6

About N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine

N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 79553044) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID79553044
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CCCCC1C1CCCCN1
InChIInChI=1S/C17H35N3/c1-14(2)20(3)13-12-19-17-9-5-4-8-15(17)16-10-6-7-11-18-16/h14-19H,4-13H2,1-3H3
InChIKeyRCNQWKWCYHMZLO-UHFFFAOYSA-N
XLogP2.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine (CID 79553044) is N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNC1CCCCC1C1CCCCN1.
What is the InChIKey of N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is RCNQWKWCYHMZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)20(3)13-12-19-17-9-5-4-8-15(17)16-10-6-7-11-18-16/h14-19H,4-13H2,1-3H3.
What are the key properties of N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 79553044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).