4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride

C16H26Cl2N2 — CID 23447158

IUPAC4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride
SMILESCC1(C)CC(C2=CC=C(N)C(C)(C)C2)=CC=C1N.Cl.Cl
InChIInChI=1S/C16H24N2.2ClH/c1-15(2)9-11(5-7-13(15)17)12-6-8-14(18)16(3,4)10-12;;/h5-8H,9-10,17-18H2,1-4H3;2*1H
InChIKeyDGPJPKYTWMTBTI-UHFFFAOYSA-N
MW317.30 g/mol
LogP4.23
Rot. Bonds1

About 4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride

4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride (PubChem CID 23447158) has the molecular formula C16H26Cl2N2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride
PubChem CID23447158
Molecular FormulaC16H26Cl2N2
Molecular Weight317.30 g/mol
Exact Mass316.15
IUPAC Name4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride
SMILESCC1(C)CC(C2=CC=C(N)C(C)(C)C2)=CC=C1N.Cl.Cl
InChIInChI=1S/C16H24N2.2ClH/c1-15(2)9-11(5-7-13(15)17)12-6-8-14(18)16(3,4)10-12;;/h5-8H,9-10,17-18H2,1-4H3;2*1H
InChIKeyDGPJPKYTWMTBTI-UHFFFAOYSA-N
XLogP4.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride?
The IUPAC name of 4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride (CID 23447158) is 4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride.
What is the SMILES notation for 4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride?
The canonical SMILES for 4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride is CC1(C)CC(C2=CC=C(N)C(C)(C)C2)=CC=C1N.Cl.Cl.
What is the InChIKey of 4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride?
The InChIKey is DGPJPKYTWMTBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.2ClH/c1-15(2)9-11(5-7-13(15)17)12-6-8-14(18)16(3,4)10-12;;/h5-8H,9-10,17-18H2,1-4H3;2*1H.
What are the key properties of 4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride?
4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride has a molecular weight of 317.30 g/mol, XLogP of 4.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5,5-dimethylcyclohexa-1,3-dien-1-yl)-6,6-dimethylcyclohexa-1,3-dien-1-amine;dihydrochloride is sourced from PubChem (CID 23447158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).