N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine

C23H30N2 — CID 154500027

IUPACN-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine
SMILESCN(C)CC1=CC=CC1c1ccc2ccccc2c1CNC(C)(C)C
InChIInChI=1S/C23H30N2/c1-23(2,3)24-15-22-19-11-7-6-9-17(19)13-14-21(22)20-12-8-10-18(20)16-25(4)5/h6-14,20,24H,15-16H2,1-5H3
InChIKeyCRRGMASGCSOFCD-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.87
Rot. Bonds5

About N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine

N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine (PubChem CID 154500027) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine
PubChem CID154500027
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC NameN-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine
SMILESCN(C)CC1=CC=CC1c1ccc2ccccc2c1CNC(C)(C)C
InChIInChI=1S/C23H30N2/c1-23(2,3)24-15-22-19-11-7-6-9-17(19)13-14-21(22)20-12-8-10-18(20)16-25(4)5/h6-14,20,24H,15-16H2,1-5H3
InChIKeyCRRGMASGCSOFCD-UHFFFAOYSA-N
XLogP4.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol
CID 141067090
1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
CID 175242182
2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride
CID 160957887
1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene
CID 174460458
N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline
CID 23015745
2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine
CID 23014795
N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine
CID 23015649
N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
CID 154500013
14H-cyclopenta[a]phenanthrene
CID 18702387
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methylbutan-2-amine;hydrochloride
CID 17210770
N'-[2-[(tert-butylamino)methyl]-3-chlorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698868
2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol
CID 141067455

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine (CID 154500027) is N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine is CN(C)CC1=CC=CC1c1ccc2ccccc2c1CNC(C)(C)C.
What is the InChIKey of N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CRRGMASGCSOFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1-23(2,3)24-15-22-19-11-7-6-9-17(19)13-14-21(22)20-12-8-10-18(20)16-25(4)5/h6-14,20,24H,15-16H2,1-5H3.
What are the key properties of N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 334.51 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 154500027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).