1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine

C12H20N2 — CID 118147411

IUPAC1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine
SMILESCC1=C(N(C)C)CC=CC=C1N(C)C
InChIInChI=1S/C12H20N2/c1-10-11(13(2)3)8-6-7-9-12(10)14(4)5/h6-8H,9H2,1-5H3
InChIKeyYPPHCMWTCIYCNT-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.23
Rot. Bonds2

About 1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine

1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine (PubChem CID 118147411) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine
PubChem CID118147411
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine
SMILESCC1=C(N(C)C)CC=CC=C1N(C)C
InChIInChI=1S/C12H20N2/c1-10-11(13(2)3)8-6-7-9-12(10)14(4)5/h6-8H,9H2,1-5H3
InChIKeyYPPHCMWTCIYCNT-UHFFFAOYSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine (CID 118147411) is 1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine is CC1=C(N(C)C)CC=CC=C1N(C)C.
What is the InChIKey of 1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine?
The InChIKey is YPPHCMWTCIYCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-11(13(2)3)8-6-7-9-12(10)14(4)5/h6-8H,9H2,1-5H3.
What are the key properties of 1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine?
1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine is sourced from PubChem (CID 118147411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).