N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine

C12H21N — CID 11084471

IUPACN,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine
SMILESCC1=C(C)C(CN(C)C)C(C)=C1C
InChIInChI=1S/C12H21N/c1-8-9(2)11(4)12(10(8)3)7-13(5)6/h12H,7H2,1-6H3
InChIKeyKSFKITHBJMMBKK-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.85
Rot. Bonds2

About N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine

N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine (PubChem CID 11084471) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine
PubChem CID11084471
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine
SMILESCC1=C(C)C(CN(C)C)C(C)=C1C
InChIInChI=1S/C12H21N/c1-8-9(2)11(4)12(10(8)3)7-13(5)6/h12H,7H2,1-6H3
InChIKeyKSFKITHBJMMBKK-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine (CID 11084471) is N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine is CC1=C(C)C(CN(C)C)C(C)=C1C.
What is the InChIKey of N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine?
The InChIKey is KSFKITHBJMMBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8-9(2)11(4)12(10(8)3)7-13(5)6/h12H,7H2,1-6H3.
What are the key properties of N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine?
N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine has a molecular weight of 179.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 11084471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).