N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline

C28H32N2 — CID 23015932

IUPACN-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2c(C3=CC(CN(C)C)=CC3)ccc3ccccc23)c(C)c1
InChIInChI=1S/C28H32N2/c1-19-14-20(2)28(21(3)15-19)29-17-27-25-9-7-6-8-23(25)12-13-26(27)24-11-10-22(16-24)18-30(4)5/h6-10,12-16,29H,11,17-18H2,1-5H3
InChIKeyRKYWXZFOADADMG-UHFFFAOYSA-N
MW396.58 g/mol
LogP6.65
Rot. Bonds6

About N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline

N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline (PubChem CID 23015932) has the molecular formula C28H32N2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
PubChem CID23015932
Molecular FormulaC28H32N2
Molecular Weight396.58 g/mol
Exact Mass396.26
IUPAC NameN-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2c(C3=CC(CN(C)C)=CC3)ccc3ccccc23)c(C)c1
InChIInChI=1S/C28H32N2/c1-19-14-20(2)28(21(3)15-19)29-17-27-25-9-7-6-8-23(25)12-13-26(27)24-11-10-22(16-24)18-30(4)5/h6-10,12-16,29H,11,17-18H2,1-5H3
InChIKeyRKYWXZFOADADMG-UHFFFAOYSA-N
XLogP6.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline with MolForge

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Related Compounds

2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine
CID 23014795
1-[4-(1-methanidylnaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine;phenylazanide;titanium(2+);dichloride
CID 23016317
N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
CID 154500013
[2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol
CID 68549929
1-[4-[1-methanimidoyl-3-(2,3,4-trimethylphenyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 91427773
2-[(1S)-1-[[2-[(2,4,6-trimethylanilino)methyl]naphthalen-1-yl]amino]ethyl]phenol
CID 71049445
[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride
CID 87501372
N,N-dimethyl-1-[4-(1H-naphthalen-1-id-2-yl)cyclopenta-1,4-dien-1-yl]methanamine;phenylmethanol;titanium(3+);dichloride
CID 87493026
2,2-dimethyl-1-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]propan-1-imine
CID 87492755
[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride
CID 87501338
2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde
CID 88526025
N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine
CID 23015649

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline (CID 23015932) is N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NCc2c(C3=CC(CN(C)C)=CC3)ccc3ccccc23)c(C)c1.
What is the InChIKey of N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline?
The InChIKey is RKYWXZFOADADMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2/c1-19-14-20(2)28(21(3)15-19)29-17-27-25-9-7-6-8-23(25)12-13-26(27)24-11-10-22(16-24)18-30(4)5/h6-10,12-16,29H,11,17-18H2,1-5H3.
What are the key properties of N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline?
N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline has a molecular weight of 396.58 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 23015932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).