3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine

C9H16N2 — CID 21332687

IUPAC3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine
SMILESCCNC1(C)C=C(N)C=CC1
InChIInChI=1S/C9H16N2/c1-3-11-9(2)6-4-5-8(10)7-9/h4-5,7,11H,3,6,10H2,1-2H3
InChIKeyROKJMDHYFDOBFU-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.16
Rot. Bonds2

About 3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine

3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine (PubChem CID 21332687) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine
PubChem CID21332687
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine
SMILESCCNC1(C)C=C(N)C=CC1
InChIInChI=1S/C9H16N2/c1-3-11-9(2)6-4-5-8(10)7-9/h4-5,7,11H,3,6,10H2,1-2H3
InChIKeyROKJMDHYFDOBFU-UHFFFAOYSA-N
XLogP1.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine (CID 21332687) is 3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine is CCNC1(C)C=C(N)C=CC1.
What is the InChIKey of 3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine?
The InChIKey is ROKJMDHYFDOBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-11-9(2)6-4-5-8(10)7-9/h4-5,7,11H,3,6,10H2,1-2H3.
What are the key properties of 3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine?
3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-methylcyclohexa-1,5-diene-1,3-diamine is sourced from PubChem (CID 21332687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).