N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine

C14H30N2 — CID 781999

IUPACN'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine
SMILESCCC1CCC(N(CC)CCN(C)C)CC1
InChIInChI=1S/C14H30N2/c1-5-13-7-9-14(10-8-13)16(6-2)12-11-15(3)4/h13-14H,5-12H2,1-4H3
InChIKeyCIYADKVARFOJFS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.84
Rot. Bonds6

About N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine

N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 781999) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine
PubChem CID781999
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine
SMILESCCC1CCC(N(CC)CCN(C)C)CC1
InChIInChI=1S/C14H30N2/c1-5-13-7-9-14(10-8-13)16(6-2)12-11-15(3)4/h13-14H,5-12H2,1-4H3
InChIKeyCIYADKVARFOJFS-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine (CID 781999) is N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine is CCC1CCC(N(CC)CCN(C)C)CC1.
What is the InChIKey of N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is CIYADKVARFOJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13-7-9-14(10-8-13)16(6-2)12-11-15(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine?
N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-ethylcyclohexyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 781999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).