N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C16H33N3 — CID 63208841

IUPACN'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCC1CCCCC1NCCN(C)CCN1CCCC1
InChIInChI=1S/C16H33N3/c1-15-7-3-4-8-16(15)17-9-12-18(2)13-14-19-10-5-6-11-19/h15-17H,3-14H2,1-2H3
InChIKeyXDLOYUUNCLNRPN-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds7

About N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 63208841) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID63208841
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCC1CCCCC1NCCN(C)CCN1CCCC1
InChIInChI=1S/C16H33N3/c1-15-7-3-4-8-16(15)17-9-12-18(2)13-14-19-10-5-6-11-19/h15-17H,3-14H2,1-2H3
InChIKeyXDLOYUUNCLNRPN-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 63208841) is N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CC1CCCCC1NCCN(C)CCN1CCCC1.
What is the InChIKey of N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is XDLOYUUNCLNRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-15-7-3-4-8-16(15)17-9-12-18(2)13-14-19-10-5-6-11-19/h15-17H,3-14H2,1-2H3.
What are the key properties of N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63208841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).