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

C17H34N2 — CID 2845278

IUPACN'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CCC1=C(C)CCCC1(C)C)CCN(C)C
InChIInChI=1S/C17H34N2/c1-7-19(14-13-18(5)6)12-10-16-15(2)9-8-11-17(16,3)4/h7-14H2,1-6H3
InChIKeyBXNBEAWCNVYNGD-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.79
Rot. Bonds7

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

N'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 2845278) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine
PubChem CID2845278
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CCC1=C(C)CCCC1(C)C)CCN(C)C
InChIInChI=1S/C17H34N2/c1-7-19(14-13-18(5)6)12-10-16-15(2)9-8-11-17(16,3)4/h7-14H2,1-6H3
InChIKeyBXNBEAWCNVYNGD-UHFFFAOYSA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.79
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'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine (CID 2845278) is N'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine is CCN(CCC1=C(C)CCCC1(C)C)CCN(C)C.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is BXNBEAWCNVYNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-7-19(14-13-18(5)6)12-10-16-15(2)9-8-11-17(16,3)4/h7-14H2,1-6H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine?
N'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 2845278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).