N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine

C19H38N2 — CID 2845437

IUPACN,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(CC)CCC1=C(C)CCCC1(C)C
InChIInChI=1S/C19H38N2/c1-7-20(8-2)15-16-21(9-3)14-12-18-17(4)11-10-13-19(18,5)6/h7-16H2,1-6H3
InChIKeyZTOSQVDXSMKCKR-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.57
Rot. Bonds9

About N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine

N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 2845437) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine
PubChem CID2845437
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(CC)CCC1=C(C)CCCC1(C)C
InChIInChI=1S/C19H38N2/c1-7-20(8-2)15-16-21(9-3)14-12-18-17(4)11-10-13-19(18,5)6/h7-16H2,1-6H3
InChIKeyZTOSQVDXSMKCKR-UHFFFAOYSA-N
XLogP4.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine (CID 2845437) is N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine is CCN(CC)CCN(CC)CCC1=C(C)CCCC1(C)C.
What is the InChIKey of N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is ZTOSQVDXSMKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-7-20(8-2)15-16-21(9-3)14-12-18-17(4)11-10-13-19(18,5)6/h7-16H2,1-6H3.
What are the key properties of N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine?
N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.57, 9 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'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 2845437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).