N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine

C14H29N3 — CID 117004717

IUPACN'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)C1CCCN(C2CCCCC2)C1
InChIInChI=1S/C14H29N3/c1-16(11-9-15)14-8-5-10-17(12-14)13-6-3-2-4-7-13/h13-14H,2-12,15H2,1H3
InChIKeyYRVOXWXBYZKSMR-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.67
Rot. Bonds4

About N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine

N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine (PubChem CID 117004717) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine
PubChem CID117004717
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)C1CCCN(C2CCCCC2)C1
InChIInChI=1S/C14H29N3/c1-16(11-9-15)14-8-5-10-17(12-14)13-6-3-2-4-7-13/h13-14H,2-12,15H2,1H3
InChIKeyYRVOXWXBYZKSMR-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine (CID 117004717) is N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine is CN(CCN)C1CCCN(C2CCCCC2)C1.
What is the InChIKey of N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine?
The InChIKey is YRVOXWXBYZKSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16(11-9-15)14-8-5-10-17(12-14)13-6-3-2-4-7-13/h13-14H,2-12,15H2,1H3.
What are the key properties of N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine?
N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine has a molecular weight of 239.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 117004717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).