N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine

C22H27N — CID 23015649

IUPACN-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine
SMILESCC1=CC(C)=C(c2ccc3ccccc3c2CNC(C)(C)C)C1
InChIInChI=1S/C22H27N/c1-15-12-16(2)20(13-15)19-11-10-17-8-6-7-9-18(17)21(19)14-23-22(3,4)5/h6-12,23H,13-14H2,1-5H3
InChIKeyKIASVAZUZCOSIU-UHFFFAOYSA-N
MW305.47 g/mol
LogP5.85
Rot. Bonds3

About N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine (PubChem CID 23015649) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine
PubChem CID23015649
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC NameN-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine
SMILESCC1=CC(C)=C(c2ccc3ccccc3c2CNC(C)(C)C)C1
InChIInChI=1S/C22H27N/c1-15-12-16(2)20(13-15)19-11-10-17-8-6-7-9-18(17)21(19)14-23-22(3,4)5/h6-12,23H,13-14H2,1-5H3
InChIKeyKIASVAZUZCOSIU-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine 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
[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]-diphenylmethanol;titanium;dihydrochloride
CID 87494760
1-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-2-ethylbenzene
CID 23015065
N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016126
CID 172736584
CID 172736584
[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanol
CID 23016319
1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-one
CID 23015537
N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine
CID 154500027
2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 63771665
2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene
CID 174460272
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide
CID 175857721

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine (CID 23015649) is N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine is CC1=CC(C)=C(c2ccc3ccccc3c2CNC(C)(C)C)C1.
What is the InChIKey of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KIASVAZUZCOSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-15-12-16(2)20(13-15)19-11-10-17-8-6-7-9-18(17)21(19)14-23-22(3,4)5/h6-12,23H,13-14H2,1-5H3.
What are the key properties of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 305.47 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 23015649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).