N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine

C20H34N2 — CID 2053830

IUPACN,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(CC)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H34N2/c1-4-21(5-2)16-17-22(6-3)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-11,19-20H,4-6,12-17H2,1-3H3
InChIKeyYHJHAUCEPJCWQN-UHFFFAOYSA-N
MW302.51 g/mol
LogP4.38
Rot. Bonds8

About N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine

N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine (PubChem CID 2053830) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine
PubChem CID2053830
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC NameN,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(CC)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H34N2/c1-4-21(5-2)16-17-22(6-3)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-11,19-20H,4-6,12-17H2,1-3H3
InChIKeyYHJHAUCEPJCWQN-UHFFFAOYSA-N
XLogP4.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine (CID 2053830) is N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine is CCN(CC)CCN(CC)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine?
The InChIKey is YHJHAUCEPJCWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-4-21(5-2)16-17-22(6-3)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-11,19-20H,4-6,12-17H2,1-3H3.
What are the key properties of N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine?
N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine has a molecular weight of 302.51 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 2053830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).