4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine

C10H19N3 — CID 154168812

IUPAC4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine
SMILESCN(C)CCC1(N)C=CC(N)=CC1
InChIInChI=1S/C10H19N3/c1-13(2)8-7-10(12)5-3-9(11)4-6-10/h3-5H,6-8,11-12H2,1-2H3
InChIKeyDULDPEUHONAEFH-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.44
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine

4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine (PubChem CID 154168812) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine
PubChem CID154168812
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine
SMILESCN(C)CCC1(N)C=CC(N)=CC1
InChIInChI=1S/C10H19N3/c1-13(2)8-7-10(12)5-3-9(11)4-6-10/h3-5H,6-8,11-12H2,1-2H3
InChIKeyDULDPEUHONAEFH-UHFFFAOYSA-N
XLogP0.44
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine (CID 154168812) is 4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine is CN(C)CCC1(N)C=CC(N)=CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is DULDPEUHONAEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-13(2)8-7-10(12)5-3-9(11)4-6-10/h3-5H,6-8,11-12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine?
4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 181.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 154168812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).